SCHEMBL2188777

SCHEMBL2188777

COc1cc[c]cc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
HTT P42858 3/20 0.44
HPGD P15428 2/20 0.44
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
LCK P06239 1/20 0.43
FYN P06241 1/20 0.43
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA12 O43570 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
MYC P01106 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
TPMT P51580 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL182820 0.85 ALDH1A1 (0.49) ALDH1A1KDM4EHTTHPGDMAPT
SCHEMBL8317114 0.85 HTT (0.44) ALDH1A1KDM4EHTTHPGDMAPT
SCHEMBL2551636 0.83 PARP10 (0.41) ALDH1A1KDM4EHTTHPGDMAPT
SCHEMBL2443988 0.83 GAA (0.45) ALDH1A1KDM4EHTTHPGDMAPT
SCHEMBL6200251 0.81 KDM4E (0.58) ALDH1A1KDM4EHPGDMAPTTDP1
SCHEMBL2552993 0.80 MAPT (0.37) ALDH1A1HTTHPGDMAPTNPSR1
SCHEMBL2554120 0.80 PLK1 (0.49) ALDH1A1KDM4EHTTHPGDMAPT
SCHEMBL4319075 0.80 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDTDP1HSD17B10
SCHEMBL4318856 0.80 TSHR (0.47) ALDH1A1KDM4EHTTHSD17B10KMT2A
SCHEMBL1809516 0.78 TSHR (0.49) ALDH1A1KDM4EHPGDMAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11739083-B2 Disposable sensor chip with reagent including 2-substituted benzothiazolyl-3-substituted phenyl-5-substituted sulfonated phenyl-2H-tetrazolium salt TERUMO KABUSHIKI KAISHA (JP) 2023-08-29 US claimed
US-20230122243-A1 Heteroaromatic inhibitors of astacin proteinases VIVORYON THERAPEUTICS N.V. (DE) 2023-04-20 US claimed
CN-109689648-B 2-substituted benzothiazolyl-3-substituted phenyl-5-substituted sulfonated phenyl-2H-tetrazolium salt 泰尔茂株式会社 2022-07-26 CN claimed
CN-114585608-A Heteroaromatic inhibitors of astacin protease 维沃永治疗公众有限公司 2022-06-03 CN claimed
CN-114507175-A Novel inhibitors of hypnotic proteins alpha and beta 维沃里翁治疗股份有限公司 2022-05-17 CN claimed
EP-3986868-A1 HETEROAROMATIC INHIBITORS OF ASTACIN PROTEINASES Vivoryon Therapeutics N.V. (DE) 2022-04-27 EP claimed
CN-109195947-B Novel inhibitors of hypnotic proteins alpha and beta 维沃里翁治疗股份有限公司 2022-03-04 CN claimed
EP-3445744-B1 NOVEL INHIBITORS OF MEPRIN ALPHA AND BETA VIVORYON THERAPEUTICS AG (DE) 2021-10-06 EP claimed
US-20210198189-A1 NOVEL INHIBITORS OF MEPRIN ALPHA AND BETA VIVORYON THERAPEUTICS AG (DE) 2021-07-01 US claimed
US-10975019-B2 Inhibitors of meprin α and β VIVORYON THERAPEUTICS AG (DE) 2021-04-13 US claimed
EP-1633716-A4 BIARYLMETHYL INDOLINES, INDOLES AND TETRAHYDROQUINOLINES, USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-03-26 EP claimed
US-20070032482-A1 Benzoxazinone-derived sulfonamide compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-02-08 US claimed
US-7129264-B2 Biarylmethyl indolines and indoles as antithromboembolic agents BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-31 US claimed
CN-1829709-A Bicyclic imidazol derivatives against flaviviridae GENELABS TECH INC (US) 2006-09-06 CN claimed
EP-1648886-A1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-04-26 EP claimed
EP-1633716-A2 BIARYLMETHYL INDOLINES, INDOLES AND TETRAHYDROQUINOLINES, USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2006-03-15 EP claimed
US-20050245555-A1 Tri-substituted ureas as cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2005-11-03 US claimed
WO-2005014589-A1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (DE) 2005-02-17 WO claimed
WO-2004094372-A2 COMPOUNDS USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-04 WO claimed
US-20040220206-A1 Biarylmethyl indolines, indoles and tetrahydroquinolines, useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-11-04 US claimed

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

For each of this compound's patents that has machine-readable text (7 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-20050245555-A1 Tri-substituted ureas as cytokine inhibitors IL1B, IL1A, IL6 ALDH1A1 455/4885KDM4E 2087/4885HTT 1854/4885
US-20230122243-A1 Heteroaromatic inhibitors of astacin proteinases BMP1, DPEP1, MEP1A ALDH1A1 2800/4885KDM4E 2174/4885HTT 2952/4885
US-20040220206-A1 Biarylmethyl indolines, indoles and tetrahydroquinolines, useful as serine protease inhibitors TFPI, TFPI2, F2 ALDH1A1 2594/4885KDM4E 1323/4885HTT 4087/4885
US-20070032482-A1 Benzoxazinone-derived sulfonamide compounds, their preparation and use as medicaments HTR6, HTR5A, P2RX6 ALDH1A1 1597/4885KDM4E 1795/4885HTT 2828/4885
US-11739083-B2 Disposable sensor chip with reagent including 2-substituted benzothiazolyl-3-substituted phenyl-5-substituted sulfonated phenyl-2H-tetrazolium salt STUB1, BTK, TST ALDH1A1 663/4885KDM4E 1035/4885HTT 827/4885
US-20210198189-A1 NOVEL INHIBITORS OF MEPRIN ALPHA AND BETA MEP1A, MEP1B, CAPRIN1 ALDH1A1 3469/4885KDM4E 3258/4885HTT 1859/4885
US-10975019-B2 Inhibitors of meprin α and β MEP1A, MEP1B, CAPRIN1 ALDH1A1 3070/4885KDM4E 2394/4885HTT 1934/4885

“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.