SCHEMBL4268679

SCHEMBL4268679

O=C(CC(Cc1cccc(C(F)(F)F)c1)(C(=O)O)C(=O)O)c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
RECQL P46063 1/20 0.50
NR4A2 P43354 2/20 0.45
MLYCD O95822 1/20 0.43
MAOB P27338 2/20 0.42
MAPK14 Q16539 1/20 0.41
ACP3 P15309 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HDAC6 Q9UBN7 3/20 0.40
SRD5A2 P31213 1/20 0.40
PRKCA P17252 1/20 0.40
PRKCD Q05655 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL4260612 0.86 MAPT (0.48) MAPTMEN1KMT2ARECQLNR4A2
SCHEMBL27704908 0.83 MAPT (0.47) MAPTMEN1KMT2AALDH1A1HDAC6
SCHEMBL7315604 0.82 CES2 (0.50) MAPTMEN1KMT2ANR4A2MAOB
SCHEMBL4268675 0.82 RXFP1 (0.44) MAPTMEN1KMT2ANR4A2ACP3
SCHEMBL4262187 0.82 MAPT (0.43) MAPTMEN1KMT2ARECQLNR4A2
SCHEMBL13912551 0.78 MAPT (0.40) MAPTMEN1KMT2ARECQLNR4A2
SCHEMBL3092243 0.76 EPHX1 (0.50) MAPTMEN1KMT2ANR4A2MAOB
SCHEMBL4263189 0.75 MEN1 (0.49) MAPTMEN1KMT2ARECQLNR4A2
SCHEMBL29010009 0.72 ACP3 (0.54) MAPTMEN1KMT2ANR4A2MLYCD
SCHEMBL8035637 0.72 L3MBTL1 (0.47) MAPTMEN1KMT2AALDH1A1LMNA

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-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
US-20040266788-A1 Substituted carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC 2004-12-30 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 (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 MAPT 1123/4885MEN1 2359/4885KMT2A 2771/4885
US-20060094747-A1 Substituted carboxylic acids PTPRS, PTPRO, PTPRJ MAPT 1249/4885MEN1 2928/4885KMT2A 2422/4885
US-20090082392-A1 Substituted Carboxylic Acids PTPRJ, PTPRS, PTPRG MAPT 1173/4885MEN1 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.