SCHEMBL70042

SCHEMBL70042

O=C(O)c1cc(-c2cccc(F)c2)on1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.76
ALDH1A1 P00352 5/20 0.70
HPGD P15428 3/20 0.62
NR4A1 P22736 1/20 0.56
NR4A2 P43354 1/20 0.56
NR4A3 Q92570 1/20 0.56
SCD5 Q86SK9 3/20 0.54
KMO O15229 1/20 0.54
PTPRA P18433 1/20 0.53
SCD O00767 1/20 0.53
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
PKM P14618 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
RECQL P46063 1/20 0.51
RPS6KB1 P23443 1/20 0.49
RARA P10276 1/20 0.49

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
SCHEMBL5620215 0.86 PTPN1 (1.00) PTPN1ALDH1A1HPGDPTPRAMAPT
SCHEMBL30518900 0.85 ALDH1A1 (0.75) PTPN1ALDH1A1HPGDNR4A1NR4A2
SCHEMBL11902332 0.83 ALDH1A1 (0.62) PTPN1ALDH1A1HPGDPTPRAMAPT
SCHEMBL71299 0.83 ALDH1A1 (1.00) PTPN1ALDH1A1HPGDMAPTMEN1
SCHEMBL72387 0.82 PTPN1 (0.78) PTPN1ALDH1A1HPGDMAPTMEN1
SCHEMBL212760 0.82 PTPN1 (0.51) PTPN1ALDH1A1HPGDSCD5SCD
SCHEMBL21447026 0.82 MLLT1 (0.53) PTPN1ALDH1A1HPGDSCD5SCD
SCHEMBL72428 0.81 ALDH1A1 (0.72) PTPN1ALDH1A1HPGDMAPTMEN1
SCHEMBL12171548 0.81 NR4A1 (0.50) PTPN1ALDH1A1HPGDNR4A1NR4A2
SCHEMBL12171864 0.81 NR4A1 (0.50) PTPN1ALDH1A1HPGDNR4A1NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP claimed
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US claimed
EP-2170876-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF RESTENOSIS COMPRISING ISOXAZOLE DERIVATIVES SK HOLDINGS CO LTD (KR) 2011-12-28 EP claimed
US-20110028506-A1 Pharmaceutical Composition For Preventintion And Treatment Of Restenosis Comprising Isoxazole Derivatives SK BIOPHARMACEUTICALS CO., LTD. (KR) 2011-02-03 US claimed
CN-101778845-A Pharmaceutical composition comprising isoxazole derivatives for the prevention and treatment of restenosis SK HOLDINGS CO LTD 2010-07-14 CN claimed
WO-2010075356-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-01 WO claimed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 US claimed
EP-2170876-A2 PHARMACEUTICAL COMPOSITION FOR PREVENTINTION AND TREATMENT OF RESTENOSIS COMPRISING ISOXAZOLE DERIVATIVES SK Holdings Co., Ltd. (KR) 2010-04-07 EP claimed
WO-2009117676-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 WO claimed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 US claimed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US claimed
WO-2009005269-A2 PHARMACEUTICAL COMPOSITION FOR PREVENTINTION AND TREATMENT OF RESTENOSIS COMPRISING ISOXAZOLE DERIVATIVES SK HOLDINGS CO., LTD. (KR) 2009-01-08 WO claimed
EP-1971600-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK Holdings Co., Ltd. (KR) 2008-09-24 EP claimed
WO-2007078113-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2007-07-12 WO claimed
US-10973810-B2 Methods for the treatment of neurological disorders YUMANITY THERAPEUTICS, INC. (US) 2021-04-13 US disclosed
EP-3566055-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Yumanity Therapeutics, Inc. (US) 2019-11-13 EP disclosed
WO-2018129403-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS YUMANITY THERAPEUTICS (US) 2018-07-12 WO disclosed
WO-2009005269-A2 PHARMACEUTICAL COMPOSITION FOR PREVENTINTION AND TREATMENT OF RESTENOSIS COMPRISING ISOXAZOLE DERIVATIVES SK HOLDINGS CO., LTD. (KR) 2009-01-08 WO disclosed
EP-1971600-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK Holdings Co., Ltd. (KR) 2008-09-24 EP disclosed
WO-2007078113-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2007-07-12 WO 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 (5 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-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 PTPN1 4580/4885ALDH1A1 969/4885HPGD 503/4885
US-10973810-B2 Methods for the treatment of neurological disorders NLN, CLN6, OTC PTPN1 4811/4885ALDH1A1 934/4885HPGD 632/4885
US-20110028506-A1 Pharmaceutical Composition For Preventintion And Treatment Of Restenosis Comprising Isoxazole Derivatives PTGIR, GPR119, PTGIS PTPN1 599/4885ALDH1A1 957/4885HPGD 362/4885
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 PTPN1 4658/4885ALDH1A1 784/4885HPGD 482/4885
US-20090131336-A1 Isoxazole Derivatives and Use Thereof WNT3A, WNT1, WNT3 PTPN1 2026/4885ALDH1A1 706/4885HPGD 732/4885

“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.