SCHEMBL904579

SCHEMBL904579

CCC(C(=O)O)C(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.55
▸ MAPK1 P28482 2/20 0.53
▸ GSK3B P49841 1/20 0.53
▸ CES1 P23141 2/20 0.52
▸ SLC6A2 P23975 1/20 0.51
▸ SLC6A4 P31645 1/20 0.51
▸ SLC6A3 Q01959 1/20 0.51
▸ CA1 P00915 2/20 0.50
▸ CA2 P00918 2/20 0.50
▸ CES2 O00748 1/20 0.50
▸ SRD5A2 P31213 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ POLB P06746 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ RAB9A P51151 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28003628 0.89 TDP1 (0.50) TDP1MAPK1GSK3BCES1SLC6A2
SCHEMBL9352637 0.87 SLC6A2 (0.59) TDP1MAPK1GSK3BCES1SLC6A2
SCHEMBL8129568 0.85 MEN1 (0.48) CES1CES2ALDH1A1KDM4EGAA
SCHEMBL27654808 0.84 TDP1 (0.51) TDP1MAPK1GSK3BCES1CA1
SCHEMBL10514853 0.83 SLC6A2 (0.62) TDP1MAPK1GSK3BCES1SLC6A2
SCHEMBL28179085 0.83 MAPK1 (0.56) TDP1MAPK1GSK3BCES1SLC6A2
SCHEMBL17617235 0.82 ATM (0.50) MAPK1GSK3BCES1SLC6A2SLC6A4
SCHEMBL27869844 0.82 MMP2 (0.52) MAPK1POLBTP53HDAC2
SCHEMBL24421736 0.81 MAPK1 (0.55) TDP1MAPK1GSK3BCES1SLC6A2
SCHEMBL8942192 0.79 TDP1 (0.58) TDP1MAPK1GSK3BCES1SLC6A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118978445-A Method for synthesizing indobufen intermediate 2- (4-nitrophenyl) butyric acid 陕西西岳制药(扶风)有限公司 2024-11-19 — — CN disclosed
CN-118978445-A Method for synthesizing indobufen intermediate 2- (4-nitrophenyl) butyric acid 陕西西岳制药(扶风)有限公司 2024-11-19 — — CN disclosed
US-11397115-B2 Temperature detection label and article management device using same HITACHI, LTD. (JP) 2022-07-26 — — US disclosed
US-20200278263-A1 Temperature Detection Label and Article Management Device Using Same HITACHI, LTD. (JP) 2020-09-03 — — US disclosed
US-9238633-B2 Methods for treating diabetic complications with carbamoyloxy arylalkanoyl arylpiperazine compounds SK BIOPHARMACEUTICALS CO., LTD. (KR) 2016-01-19 — — US disclosed
US-8901116-B2 Method for treating pain, anxiety or depression using carbamoyloxy alkanoyl piperazine compound SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-12-02 — — US disclosed
US-20140243352-A1 METHODS FOR TREATING DIABETIC COMPLICATIONS WITH CARBAMOYLOXY ARYLALKANOYL ARYLPIPERAZINE COMPOUNDS SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-08-28 — — US disclosed
US-20140128418-A1 PYRAZOLE DERIVATIVES, PREPARATION METHOD THEREOF, AND COMPOSITION FOR PREVENTING AND TREATING OSTEOPOROSIS CONTAINING SAME EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUNDATION (KR) 2014-05-08 — — US disclosed
US-20140088095-A1 METHOD FOR TREATING PAIN, ANXIETY OR DEPRESSION USING CARBAMOYLOXY ALKANOYL PIPERAZINE COMPOUND SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-03-27 — — US disclosed
US-8648083-B2 Method of treating diabetic hyperlipidemia or hyperlipidemia with carbamoyloxy arylalkanoyl arylpiperazine compounds SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-02-11 — — US disclosed
US-8541409-B2 Carbamoyloxy arylalkanoyl arylpiperazine analgesics SK BIOPHARMACEUTICALS CO., LTD. (KR) 2013-09-24 — — US disclosed
US-20130131081-A1 PHARMACEUTICAL COMPOSITIONS INCLUDING CARBAMOYLOXY ARYLALKANOYL ARYLPIPERAZINE COMPOUND SK BIOPHARMACEUTICALS CO., LTD. (KR) 2013-05-23 — — US disclosed
EP-2590650-A2 PHARMACEUTICAL COMPOSITIONS INCLUDING CARBAMOYLOXY ARYLALKANOYL ARYLPIPERAZINE COMPOUND SK Biopharmaceuticals Co., Ltd. (KR) 2013-05-15 — — EP disclosed
WO-2012005536-A2 PHARMACEUTICAL COMPOSITIONS INCLUDING CARBAMOYLOXY ARYLALKANOYL ARYLPIPERAZINE COMPOUND SK BIOPHARMACEUTICALS CO., LTD. (KR) 2012-01-12 — — WO disclosed
EP-2155736-B1 NOVEL CARBAMOYLOXY ARYLALKANOYL ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND SK HOLDINGS CO LTD (KR) 2011-12-21 — — EP disclosed
US-20110195963-A1 NOVEL CARBAMOYLOXY ARYLALKANOYL ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND SK BIOPHARMACEUTICALS CO., LTD. (KR) 2011-08-11 — — US disclosed
US-20100160331-A1 NOVEL CARBAMOYLOXY ARYLALKAN ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND SK HOLDINGS CO. LTD. (KR) 2010-06-24 — — US disclosed
EP-2155736-A1 NOVEL CARBAMOYLOXY ARYLALKANOYL ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND SK Holdings Co., Ltd. (KR) 2010-02-24 — — EP disclosed
WO-2008140198-A1 NOVEL CARBAMOYLOXY ARYLALKANOYL ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND SK HOLDINGS CO., LTD. (KR) 2008-11-20 — — WO disclosed
US-3932188-A METHINE OXONOL DYES MITSUBISHI PAPER MILLS, LTD. (JA) 1976-01-13 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100160331-A1 NOVEL CARBAMOYLOXY ARYLALKAN ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND HTR5A, OPRD1, OPRL1 TDP1 3341/4885MAPK1 1564/4885GSK3B 2959/4885
US-20140128418-A1 PYRAZOLE DERIVATIVES, PREPARATION METHOD THEREOF, AND COMPOSITION FOR PREVENTING AND TREATING OSTEOPOROSIS CONTAINING SAME PTH1R, SOST, CYP24A1 TDP1 3883/4885MAPK1 698/4885GSK3B 1177/4885
US-20130131081-A1 PHARMACEUTICAL COMPOSITIONS INCLUDING CARBAMOYLOXY ARYLALKANOYL ARYLPIPERAZINE COMPOUND LIPG, CETP, GPR119 TDP1 4324/4885MAPK1 2561/4885GSK3B 3802/4885
US-20110195963-A1 NOVEL CARBAMOYLOXY ARYLALKANOYL ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND HTR5A, CNR2, CNR1 TDP1 3643/4885MAPK1 1630/4885GSK3B 2728/4885
US-20140088095-A1 METHOD FOR TREATING PAIN, ANXIETY OR DEPRESSION USING CARBAMOYLOXY ALKANOYL PIPERAZINE COMPOUND HTR5A, OPRL1, HDAC3 TDP1 3476/4885MAPK1 1614/4885GSK3B 2358/4885
US-20140243352-A1 METHODS FOR TREATING DIABETIC COMPLICATIONS WITH CARBAMOYLOXY ARYLALKANOYL ARYLPIPERAZINE COMPOUNDS LIPG, DPP7, IAPP TDP1 3728/4885MAPK1 1902/4885GSK3B 4124/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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