SCHEMBL4268675

SCHEMBL4268675

O=C(CC(Cc1cccc(C(F)(F)F)c1)(C(=O)O)C(=O)O)c1ccccc1Br

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 1/20 0.43
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
TACR1 P25103 1/20 0.40
ACP3 P15309 1/20 0.40
RORB Q92753 1/20 0.40
EPHX1 P07099 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
NR4A2 P43354 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
ATM Q13315 1/20 0.39
SIGMAR1 Q99720 2/20 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
SCHEMBL4268679 0.82 MAPT (0.50) RXFP1MEN1KMT2AMAPTTHRA
SCHEMBL7315604 0.79 CES2 (0.50) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL3092243 0.75 EPHX1 (0.50) MEN1KMT2AMAPTTHRBACP3
SCHEMBL29010009 0.72 ACP3 (0.54) MEN1KMT2AMAPTACP3EPHX1
SCHEMBL16892926 0.70 EPHX1 (0.56) MEN1KMT2AMAPTACP3EPHX1
SCHEMBL27926032 0.69 ACP3 (0.51) MEN1KMT2AMAPTACP3EPHX1
SCHEMBL4260612 0.68 MAPT (0.48) RXFP1MEN1KMT2AMAPTTHRA
SCHEMBL2166749 0.68 MAPT (0.50) MEN1KMT2AMAPTACP3EPHX1
SCHEMBL2166746 0.68 MAPT (0.50) MEN1KMT2AMAPTACP3EPHX1
SCHEMBL28245991 0.68 MEN1 (0.50) MEN1KMT2AMAPTACP3EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082392-A1 Substituted Carboxylic Acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY LLC 2009-03-26 US disclosed
US-7358364-B2 treatment of diabetes and/or cancer; useful in the treatment of syndrome X; capable of inhibiting Protein tyrosine phosphatase THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC (US) 2008-04-15 US disclosed
EP-1805159-A1 SUBSTITUTED CARBOXYLIC ACIDS The Institutes for Pharmaceutical Discovery, LLC (US) 2007-07-11 EP disclosed
WO-2006050212-A1 SUBSTITUTED CARBOXYLIC ACIDS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY LLC (US) 2006-05-11 WO disclosed
US-20060094747-A1 Substituted carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, L.L.C. 2006-05-04 US disclosed
EP-1620420-A2 SUBSTITUTED CARBOXYLIC ACIDS The Institutes for Pharmaceutical Discovery, LLC (US) 2006-02-01 EP disclosed
US-20040266788-A1 Substituted carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC 2004-12-30 US disclosed
WO-2004099168-A2 SUBSTITUTED CARBOXYLIC ACIDS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2004-11-18 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 (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-20040266788-A1 Substituted carboxylic acids PTP4A1, PTPRS, G6PC1 RXFP1 3242/4885MEN1 2359/4885KMT2A 2771/4885
US-20060094747-A1 Substituted carboxylic acids PTPRS, PTPRO, PTPRJ RXFP1 3641/4885MEN1 2928/4885KMT2A 2422/4885
US-20090082392-A1 Substituted Carboxylic Acids PTPRJ, PTPRS, PTPRG RXFP1 3542/4885MEN1 3127/4885KMT2A 2575/4885

“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.