SCHEMBL8090926

SCHEMBL8090926

CCc1cc(F)c(F)c(F)c1C

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
HDAC3 O15379 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
MCL1 Q07820 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.31
RIPK1 Q13546 2/20 0.30

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
SCHEMBL8082934 0.82 HMGCR (0.34) ALDH1A1KDM4ETSHR
SCHEMBL26308934 0.81 NOS3 (0.33) ALDH1A1MCL1
SCHEMBL6634488 0.80 HDAC3 (0.39) HDAC3HDAC6CES2CES1RIPK1
SCHEMBL28235044 0.79 DPP4 (0.31)
SCHEMBL13083063 0.79 LOXL2 (0.33)
SCHEMBL8094245 0.79 TYR (0.40) ALDH1A1TSHR
SCHEMBL18885983 0.78 ALDH1A1 (0.35) ALDH1A1HDAC6KDM4E
SCHEMBL3416130 0.77 PTGS1 (0.44) TSHR
SCHEMBL11049689 0.76 HDAC3 (0.31) HDAC3HDAC6CES2CES1RIPK1
SCHEMBL8097116 0.76 DPP4 (0.37)

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170267704-A1 SALICYLIC ACID DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, COMPOSITION THEREOF AND METHOD OF USE THEREOF THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2017-09-21 US disclosed
US-20150038708-A1 SUBSTITUTED 2-HYDROXY-4-(2-(PHENYLSULFONAMIDO)ACETAMIDO)BENZOIC ACID ANALOGS AS INHIBITORS OF STAT PROTEIN NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-02-05 US disclosed
US-8846707-B2 Substituted 2-hydroxy-4-(2-(phenylsulfonamido)acetamido)benzoic acid analogs as inhibitors of stat protein UNIVERISTY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2014-09-30 US disclosed
US-20130225621-A1 SUBSTITUTED 2-HYDROXY-4-(2-(PHENYLSULFONAMIDO)ACETAMIDO)BENZOIC ACID ANALOGS AS INHIBITORS OF STAT PROTEIN UNIVERSITY OF TORONTO MISSISSAUGA (CA) 2013-08-29 US disclosed
EP-2062959-A2 Novel red electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2009-05-27 EP disclosed
EP-1053990-A2 A method of producing an aromatic ketone and an aromatic ketone composition containing it TORAY INDUSTRIES, INC. (JP) 2000-11-22 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 (3 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-20170267704-A1 SALICYLIC ACID DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, COMPOSITION THEREOF AND METHOD OF USE THEREOF STAT3, STAT5A, STAT6 ALDH1A1 722/4885HDAC3 332/4885HDAC6 353/4885
US-20150038708-A1 SUBSTITUTED 2-HYDROXY-4-(2-(PHENYLSULFONAMIDO)ACETAMIDO)BENZOIC ACID ANALOGS AS INHIBITORS OF STAT PROTEIN STAT3, STAT1, STAT4 ALDH1A1 4285/4885HDAC3 251/4885HDAC6 103/4885
US-20130225621-A1 SUBSTITUTED 2-HYDROXY-4-(2-(PHENYLSULFONAMIDO)ACETAMIDO)BENZOIC ACID ANALOGS AS INHIBITORS OF STAT PROTEIN STAT3, STAT1, STAT4 ALDH1A1 4285/4885HDAC3 251/4885HDAC6 103/4885

“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.