SCHEMBL694483

SCHEMBL694483

CC(C(=O)O)c1cccc(Br)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 8/20 0.59
PTGS2 P35354 7/20 0.59
MAPT P10636 3/20 0.59
CXCR1 P25024 2/20 0.59
CXCR2 P25025 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
ALDH1A1 P00352 2/20 0.59
LMNA P02545 2/20 0.59
HPGD P15428 2/20 0.59
SLC22A6 Q4U2R8 2/20 0.59
HIF1A Q16665 2/20 0.59
RECQL P46063 1/20 0.59
KDM4E B2RXH2 1/20 0.59
CYP3A4 P08684 1/20 0.59
MAPK1 P28482 1/20 0.59
PMP22 Q01453 1/20 0.59
HSD17B10 Q99714 1/20 0.59
CXCL8 P10145 1/20 0.59
THPO P40225 1/20 0.59
AKR1C3 P42330 3/20 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
SCHEMBL16306943 1.00 PTGS1 (0.59) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL31357336 1.00 PTGS1 (0.59) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL20669549 1.00 PTGS1 (0.59) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL3519007 0.89 ALDH1A1 (0.47) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL27634032 0.86 ALDH1A1 (0.49) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL602096 0.86 PTGS2 (0.69) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL11803372 0.85 ALDH1A1 (0.47) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL25268347 0.83 ALDH1A1 (0.50) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL9772448 0.83 ALDH1A1 (0.46) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL3926394 0.83 PARP1 (0.48) PTGS1PTGS2MAPTCXCR1CXCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106083573-A Organic ligand and preparation method, quantum dot, quantum dot layer and Light-Emitting Diode 京东方科技集团股份有限公司 2016-11-09 CN claimed
US-12331023-B2 Substituted heterocyclyl derivatives as CDK inhibitors AURIGENE ONCOLOGY LIMITED (IN) 2025-06-17 US disclosed
WO-2025085564-A1 LYSINE ACETYLTRANSFERASE INHIBITORS Kronos Bio, Inc. (US) 2025-04-24 WO disclosed
WO-2025085560-A1 LYSINE ACETYLTRANSFERASE INHIBITORS Kronos Bio, Inc. (US) 2025-04-24 WO disclosed
CN-112739695-B Novel thiazole derivative and pharmaceutically acceptable salt thereof 永进药品工业株式会社 2025-03-18 CN disclosed
US-12110299-B2 Thiazole derivatives and pharmaceutically acceptable salts thereof YUNGJIN PHARM. CO., LTD. (KR) 2024-10-08 US disclosed
EP-4342540-A2 SUBSTITUTED HETEROCYCLYL DERIVATIVES AS CDK INHIBITORS Aurigene Oncology Limited (IN) 2024-03-27 EP disclosed
CN-115141197-B 3-aromatic heterocycle substituted phenyl derivative and preparation method and application thereof 安徽医科大学 2024-03-26 CN disclosed
EP-3853225-B1 N-(5-(3-(1-((THIAZOL-2-YL)AMINO)-1-OXOPROPAN-2-YL)PHENYL)PYRIDIN-2-YL)ACRYLAMIDE DERIVATIVES AS CDK7 INHIBITORS FOR THE TREATMENT OF CANCER YUNGJIN PHARMACEUTICAL CO LTD (KR) 2023-11-29 EP disclosed
EP-3853225-B1 N-(5-(3-(1-((THIAZOL-2-YL)AMINO)-1-OXOPROPAN-2-YL)PHENYL)PYRIDIN-2-YL)ACRYLAMIDE DERIVATIVES AS CDK7 INHIBITORS FOR THE TREATMENT OF CANCER YUNGJIN PHARMACEUTICAL CO LTD (KR) 2023-11-29 EP disclosed
EP-1624868-A1 \"(2-HYDROXY-2-(4-HYDROXY-3-HYDOXYMETHYLPHENYL)-ETHYLAMINO)- PROPYL!PHENYL DERIVATIVES AS BETA2 AGONISTS Pfizer Limited (GB) 2006-02-15 EP disclosed
US-20050288344-A1 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases MICRODOSE THERAPEUTX, INC. 2005-12-29 US disclosed
US-20050234097-A1 Compounds useful for the treatment of diseases PFIZER INC 2005-10-20 US disclosed
US-20050215542-A1 Compounds for the treatment of diseases PFIZER INC 2005-09-29 US disclosed
EP-1545513-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES Viropharma Incorporated (US) 2005-06-29 EP disclosed
WO-2004100950-A1 ‘(2-HYDROXY-2-(4-HYDROXY-3-HYDOXYMETHYLPHENYL)-ETHYLAMINO)-PROPYL!PHENYL DERIVATIVES AS BETA2 AGONISTS PFIZER LIMITED (GB) 2004-11-25 WO disclosed
US-20040229904-A1 Compounds useful for the treatment of diseases PFIZER INC 2004-11-18 US disclosed
WO-2004014316-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES VIROPHARMA INCORPORATED (US) 2004-02-19 WO disclosed
EP-0255178-A2 Process for preparing hetero aryl and aryl alkanoic acids Nobel Chemicals AB (SE) 1988-02-03 EP disclosed
US-3985779-A ANTIINFLAMMATORY AND ANALGESIC ACTIVITIES EISAI CO., LTD. (JA) 1976-10-12 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-20050234097-A1 Compounds useful for the treatment of diseases LTC4S, CYP11B2, CYP11B1 PTGS1 26/4885PTGS2 78/4885MAPT 2364/4885
US-20050288344-A1 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases TTPA, HAVCR2, ZC3HAV1 PTGS1 542/4885PTGS2 895/4885MAPT 2383/4885
US-12331023-B2 Substituted heterocyclyl derivatives as CDK inhibitors CDK19, CDK9, CDK1 PTGS1 2808/4885PTGS2 2705/4885MAPT 3255/4885
US-12110299-B2 Thiazole derivatives and pharmaceutically acceptable salts thereof CDKL1, CDK4, CDKL3 PTGS1 1597/4885PTGS2 2023/4885MAPT 2583/4885
US-20040229904-A1 Compounds useful for the treatment of diseases LTC4S, CYP11B1, CYP11B2 PTGS1 10/4885PTGS2 101/4885MAPT 3079/4885
US-20050215542-A1 Compounds for the treatment of diseases LTC4S, LTB4R2, EPX PTGS1 15/4885PTGS2 55/4885MAPT 1861/4885

“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.