SCHEMBL217032

SCHEMBL217032

CC(C)COC(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.58
PKM P14618 1/20 0.58
PTGS1 P23219 1/20 0.58
XIAP P98170 1/20 0.58
SLC7A5 Q01650 1/20 0.58
ANPEP P15144 2/20 0.51
RNPEP Q9H4A4 2/20 0.51
DNPEP Q9ULA0 2/20 0.51
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
SLC15A1 P46059 1/20 0.50
LTA4H P09960 2/20 0.49
SLC6A2 P23975 2/20 0.48
TAAR1 Q96RJ0 2/20 0.48
MAOA P21397 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
CYP2A6 P11509 1/20 0.48
ADORA2A P29274 1/20 0.48

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
SCHEMBL18067489 1.00 ALPI (0.58) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL5281365 0.98 ALPI (0.56) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL217031 0.98 ALPI (0.56) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL27782840 0.90 SRR (0.51) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL20215656 0.87 ALPI (0.44) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL25982857 0.86 ALPI (0.50) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL20747605 0.86 ALPI (0.53) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL21202560 0.86 ALPI (0.53) ALPIPKMPTGS1XIAPSLC7A5
Leucine SCHEMBL8513294 0.85 SLC7A5 (0.57) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL3859116 0.85 SLC7A5 (0.70) ALPIPKMPTGS1XIAPSLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11236102-B2 Oxabicycloheptane prodrugs LIXTE BIOTECHNOLOGY, INC. (US) 2022-02-01 US disclosed
US-20200325151-A1 OXABICYCLOHEPTANE PRODRUGS LIXTE BIOTECHNOLOGY, INC. 2020-10-15 US disclosed
US-10364252-B2 Oxabicycloheptane prodrugs LIXTE BIOTECHNOLOGY, INC. (US) 2019-07-30 US disclosed
US-10035791-B2 Bicyclic compound and pharmaceutical composition thereof for treating stroke and use thereof CHINA MEDICAL UNIVERSITY (TW) 2018-07-31 US disclosed
US-9988394-B2 Oxabicycloheptane prodrugs LIXTE BIOTECHNOLOGY INC. (US) 2018-06-05 US disclosed
US-9988394-B2 Oxabicycloheptane prodrugs LIXTE BIOTECHNOLOGY INC. (US) 2018-06-05 US disclosed
US-20170298049-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF FOR TREATING STROKE AND USE THEREOF CHINA MEDICAL UNIVERSITY (TW) 2017-10-19 US disclosed
CN-107208042-A Fusion proteins, recombinant bacteria and methods of using recombinant bacteria 斯波根生物技术公司 2017-09-26 CN disclosed
WO-2017007701-A1 ANTIVIRAL PHOSPHODIAMIDE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2017-01-12 WO disclosed
US-20160333024-A1 OXABICYCLOHEPTANE PRODRUGS LIXTE BIOTECHNOLOGY, INC. (US) 2016-11-17 US disclosed
US-20090149400-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2009-06-11 US disclosed
US-20090149400-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2009-06-11 US disclosed
CN-1950383-A Phosphonates, monophosphonamides, bisphosphonates for the treatment of viral diseases GILEAD SCIENCES INC (US) 2007-04-18 CN disclosed
WO-2007002912-A2 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2007-01-04 WO disclosed
WO-2007002808-A1 ANTI-NONMELANOMA CARCINOMA COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2007-01-04 WO disclosed
EP-1716162-A1 PHOSPHONATES, MONOPHOSPHONAMIDATES, BISPHOSPHONAMIDATES FOR THE TREATMENT OF VIRAL DISEASES GILEAD SCIENCES, INC. (US) 2006-11-02 EP disclosed
US-20060046981-A1 Anti-nonmelanoma carcinoma compounds, compositions, and methods of use thereof GILEAD SCIENCES, INC. 2006-03-02 US disclosed
US-20060030545-A1 Anti-proliferative compounds, compositions, and methods of use thereof GILEAD SCIENCES, INC. 2006-02-09 US disclosed
US-20050222090-A1 Anti-proliferative compounds, compositions, and methods of use thereof GILEAD SCIENCES, INC. 2005-10-06 US disclosed
WO-2005066189-A1 PHOSPHONATES, MONOPHOSPHONAMIDATES, BISPHOSPHONAMIDATES FOR THE TREATMENT OF VIRAL DISEASES GILEAD SCIENCES, INC. (US) 2005-07-21 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 (10 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-20050222090-A1 Anti-proliferative compounds, compositions, and methods of use thereof CCNY, CCNO, CCNB3 ALPI 4137/4885PKM 4553/4885PTGS1 1631/4885
US-20060046981-A1 Anti-nonmelanoma carcinoma compounds, compositions, and methods of use thereof HCCS, RCOR3, MSRB3 ALPI 4424/4885PKM 4595/4885PTGS1 1908/4885
US-20170298049-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF FOR TREATING STROKE AND USE THEREOF PCSK9, NDUFC2, PCSK7 ALPI 4609/4885PKM 1411/4885PTGS1 595/4885
US-20200325151-A1 OXABICYCLOHEPTANE PRODRUGS UGT2B7, UGT1A6, UGT1A1 ALPI 279/4885PKM 2225/4885PTGS1 1549/4885
US-20090149400-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF CCNY, CCNO, CCNB3 ALPI 4221/4885PKM 4594/4885PTGS1 1873/4885
US-20160333024-A1 OXABICYCLOHEPTANE PRODRUGS UGT2B7, UGT1A6, UGT1A1 ALPI 279/4885PKM 2225/4885PTGS1 1549/4885
US-10364252-B2 Oxabicycloheptane prodrugs UGT2B7, UGT1A6, UGT1A1 ALPI 279/4885PKM 2225/4885PTGS1 1549/4885
US-11236102-B2 Oxabicycloheptane prodrugs UGT2B7, UGT1A6, UGT1A1 ALPI 279/4885PKM 2225/4885PTGS1 1549/4885
US-10035791-B2 Bicyclic compound and pharmaceutical composition thereof for treating stroke and use thereof PCSK9, NDUFC2, PCSK7 ALPI 4609/4885PKM 1411/4885PTGS1 595/4885
US-20060030545-A1 Anti-proliferative compounds, compositions, and methods of use thereof CCNY, CCNO, CCNB3 ALPI 4076/4885PKM 4469/4885PTGS1 1816/4885

“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.