SCHEMBL1021069

SCHEMBL1021069

O=C(O)Cc1ccc(F)cc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.53
TSHR P16473 1/20 0.50
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
AGBL2 Q5U5Z8 1/20 0.42
CXCL8 P10145 1/20 0.41
DCLRE1B Q9H816 1/20 0.41
PKLR P30613 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1B1 P15121 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
DHFR P00374 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
LMNA P02545 1/20 0.39
TTR P02766 1/20 0.39

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
SCHEMBL11777759 0.85 KEAP1 (0.50) KEAP1TSHRCES2CES1DCLRE1B
SCHEMBL2923481 0.85 TSHR (0.50) KEAP1TSHRCES2CES1AGBL2
SCHEMBL8576783 0.82 KEAP1 (0.55) KEAP1CES2CES1DCLRE1BKDM4E
SCHEMBL4146826 0.82 KEAP1 (0.55) KEAP1TSHRCES2CES1DCLRE1B
SCHEMBL22866665 0.82 TSHR (0.45) KEAP1TSHRCES2CES1AGBL2
SCHEMBL2395772 0.82 TSHR (0.54) TSHRAGBL2CXCL8AKR1C3AKR1C2
SCHEMBL13806627 0.81 KEAP1 (0.53) KEAP1TSHRCES2CES1DCLRE1B
SCHEMBL150440 0.81 KEAP1 (0.53) KEAP1TSHRCES2CES1DCLRE1B
SCHEMBL503325 0.80 TSHR (0.53) TSHRCES2CES1AGBL2CXCL8
SCHEMBL29459931 0.80 TSHR (0.53) TSHRCES2CES1AGBL2CXCL8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118221579-A PRMT5 inhibitors 北京望实智慧科技有限公司 2024-06-21 CN disclosed
US-11311528-B2 Oxo-tetrahydro-isoquinoline carboxylic acids as STING inhibitors MERCK SHARP & DOHME CORP. (US) 2022-04-26 US disclosed
US-11311528-B2 Oxo-tetrahydro-isoquinoline carboxylic acids as STING inhibitors MERCK SHARP & DOHME CORP. (US) 2022-04-26 US disclosed
US-20210052573-A1 OXO-TETRAHYDRO-ISOQUINOLINE CARBOXYLIC ACIDS AS STING INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-02-25 US disclosed
US-20210052573-A1 OXO-TETRAHYDRO-ISOQUINOLINE CARBOXYLIC ACIDS AS STING INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-02-25 US disclosed
EP-3768266-A1 OXO-TETRAHYDRO-ISOQUINOLINE CARBOXYLIC ACIDS AS STING INHIBITORS Merck Sharp&Dohme Corp. (US) 2021-01-27 EP disclosed
WO-2019182886-A1 OXO-TETRAHYDRO-ISOQUINOLINE CARBOXYLIC ACIDS AS STING INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-09-26 WO disclosed
US-8461107-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2013-06-11 US disclosed
US-20110224208-A1 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2011-09-15 US disclosed
EP-2358682-A2 ISOQUINOLONE DERIVATIVES AS INHIBITORS OF PLAVIVIRUS REPLICATION Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2011-08-24 EP disclosed
US-7709500-B2 Chemical compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-7709500-B2 Chemical compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
CN-100564358-C The method of a kind of preparation 4-(3, the 4-dichlorophenoxy) piperidines ASTRAZENECA AB (SE) 2009-12-02 CN disclosed
WO-2009134624-A1 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2009-11-05 WO disclosed
CN-100352807-C substituted piperidine compounds ASTRAZENECA AB (SE) 2007-12-05 CN disclosed
CN-1907968-A Method for making 4-(3,4-dichlorophenoxy)piperidine ASTRAZENECA AB (SE) 2007-02-07 CN disclosed
CN-1633414-A Compound (I) ASTRAZENECA AB (SE) 2005-06-29 CN disclosed
US-20050107428-A1 Chemical compounds ASTRAZENECA AB (SE) 2005-05-19 US disclosed
EP-1478624-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2004-11-24 EP disclosed
WO-2003068743-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2003-08-21 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 (4 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-20050107428-A1 Chemical compounds CCR10, CCR3, CXCR5 KEAP1 684/4885TSHR 1684/4885CES2 322/4885
US-11311528-B2 Oxo-tetrahydro-isoquinoline carboxylic acids as STING inhibitors STING1, MAVS, CGAS KEAP1 71/4885TSHR 4442/4885CES2 4812/4885
US-20110224208-A1 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION MAVS, IRF3, EIF2AK2 KEAP1 18/4885TSHR 4780/4885CES2 3469/4885
US-20210052573-A1 OXO-TETRAHYDRO-ISOQUINOLINE CARBOXYLIC ACIDS AS STING INHIBITORS STING1, MAVS, CGAS KEAP1 71/4885TSHR 4442/4885CES2 4812/4885

“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.