SCHEMBL2549591

SCHEMBL2549591

COC(=O)c1ccc(C(C)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.55
CA2 P00918 4/20 0.55
TDP1 Q9NUW8 1/20 0.55
CA12 O43570 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
MAPT P10636 3/20 0.55
TSHR P16473 1/20 0.52
LMNA P02545 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
ATM Q13315 1/20 0.50
ALDH1A1 P00352 1/20 0.50
NOTUM Q6P988 3/20 0.49
POLB P06746 2/20 0.49
LOXL2 Q9Y4K0 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL8336883 0.88 CA1 (0.55) CA1CA2TDP1CA12CA7
SCHEMBL385370 0.86 LMNA (0.60) CA1CA2TDP1CA12CA7
SCHEMBL15528792 0.85 CA1 (0.52) CA1CA2TDP1CA12CA7
SCHEMBL14488091 0.84 NOTUM (0.57) CA1CA2TDP1CA12CA7
Ammonia Solution, Strong SCHEMBL27316369 0.84 LMNA (0.59) CA1CA2TDP1CA12CA7
SCHEMBL677961 0.83 CA1 (0.59) CA1CA2TDP1CA12CA7
SCHEMBL592406 0.83 CA1 (0.68) CA1CA2TDP1CA12CA7
SCHEMBL2890249 0.83 CA1 (0.59) CA1CA2TDP1CA12CA7
SCHEMBL4309547 0.83 CA1 (0.50) CA1CA2TDP1CA12CA7
SCHEMBL4306085 0.83 TSHR (0.52) CA1CA2TDP1CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113559802-B Device and method for synthesizing drug intermediate trifluoromethyl substituted aromatic compound 北京六合宁远医药科技股份有限公司 2023-03-17 CN claimed
CN-113559802-A Device and method for synthesizing drug intermediate trifluoromethyl substituted aromatic compound 北京六合宁远医药科技股份有限公司 2021-10-29 CN claimed
EP-3623372-B1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS VALO HEALTH INC (US) 2026-02-04 EP disclosed
US-12018030-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors VALO HEALTH, INC. (US) 2024-06-25 US disclosed
CN-115073250-B Sp-based 3 Method for synthesizing alpha-aryl acetic acid or alpha-fluoro carboxylic acid compound by fluorocarbon bond carboxylation reaction 四川大学 2023-10-03 CN disclosed
CN-113559802-B Device and method for synthesizing drug intermediate trifluoromethyl substituted aromatic compound 北京六合宁远医药科技股份有限公司 2023-03-17 CN disclosed
CN-115073250-A Based on sp 3 Method for synthesizing alpha-aryl acetic acid or alpha-fluorocarboxylic acid compound by virtue of carbon-fluorine bond carboxylation reaction 四川大学 2022-09-20 CN disclosed
CN-107311846-B Gem difluoroethyl substituted stilbene and diphenylethane derivatives, and preparation method and application thereof 上海华理生物医药股份有限公司 2022-05-13 CN disclosed
CN-113559802-A Device and method for synthesizing drug intermediate trifluoromethyl substituted aromatic compound 北京六合宁远医药科技股份有限公司 2021-10-29 CN disclosed
US-20210332052-A1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS VALO HEALTH, INC. 2021-10-28 US disclosed
US-20210332052-A1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS VALO HEALTH, INC. 2021-10-28 US disclosed
US-20150239796-A1 ONE POT SYNTHESIS OF 18F LABELEDTRIFLUOROMETHYLATED COMPOUNDS WITH DIFLUORO(IODO)METHANE UNIVERSITY OF OSLO (NO) 2015-08-27 US disclosed
WO-2015019325-A1 BENZIMIDAZOLYL-METHYL UREA DERIVATIVES AS ALX RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-02-12 WO disclosed
US-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2011-10-27 US disclosed
US-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2011-10-27 US disclosed
US-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2011-10-27 US disclosed
WO-2010083246-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-07-22 WO disclosed
US-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 EP 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-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP CA1 4200/4885CA2 2945/4885TDP1 3439/4885
US-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE TFEB, PCK2, JAK2 CA1 3816/4885CA2 1505/4885TDP1 2963/4885
US-12018030-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors USP7, UBA7, UBXN1 CA1 3636/4885CA2 4706/4885TDP1 657/4885
US-20210332052-A1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS USP7, UBA7, UBXN1 CA1 3636/4885CA2 4706/4885TDP1 657/4885
US-20150239796-A1 ONE POT SYNTHESIS OF 18F LABELEDTRIFLUOROMETHYLATED COMPOUNDS WITH DIFLUORO(IODO)METHANE FLI1, AFF1, CYP2F1 CA1 1196/4885CA2 3055/4885TDP1 2721/4885

“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.