SCHEMBL5067902

SCHEMBL5067902

Cc1nc(OC(C(=O)O)c2ccccc2)ccc1-c1ccc(-c2cccc3c2oc2ccccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALOX5 P09917 2/20 0.41
PTPN1 P18031 2/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
PPARG P37231 6/20 0.36
PPARA Q07869 6/20 0.36
ALDH1A1 P00352 2/20 0.36
GGPS1 O95749 1/20 0.34

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
SCHEMBL4260909 0.82 PTPN1 (0.48) KDM4EALOX5PTPN1MEN1KMT2A
SCHEMBL4265420 0.81 PTPN1 (0.59) KDM4EALOX5PTPN1MEN1KMT2A
SCHEMBL4263227 0.78 MEN1 (0.51) KDM4EALOX5PTPN1MEN1KMT2A
SCHEMBL4270351 0.76 PTPN1 (0.46) KDM4EALOX5PTPN1MEN1KMT2A
SCHEMBL4275296 0.75 PPARG (0.50) KDM4EALOX5PTPN1MEN1KMT2A
SCHEMBL4259861 0.75 KDM4E (0.46) KDM4EALOX5PTPN1MEN1KMT2A
SCHEMBL27046580 0.70 ALOX5 (0.54) KDM4EALOX5GGPS1
SCHEMBL16804571 0.69 ALOX5 (0.56) ALOX5GGPS1
SCHEMBL16582801 0.69 ALOX5 (0.70) KDM4EALOX5MEN1KMT2AALDH1A1
SCHEMBL16804578 0.68 ALOX5 (0.55) ALOX5GGPS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080146574-A1 Heterocycle Substituted Carboxylic Acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC 2008-06-19 US disclosed
US-7329680-B2 Heterocycle substituted carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2008-02-12 US disclosed
EP-1628970-A2 HETEROCYCLE SUBSTITUTED CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B The Institutes of Pharmaceutical Discovery, LLC (US) 2006-03-01 EP disclosed
US-20050004114-A1 Heterocycle substituted carboxylic acids INSTITUTE FOR DIABETES DISCOVERY, L.L.C. 2005-01-06 US disclosed
WO-2004099192-A2 HETEROCYCLE SUBSTITUTED CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B THE INSTITUTES OF 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 (2 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-20050004114-A1 Heterocycle substituted carboxylic acids PTPRC, PTPRS, PTPRJ KDM4E 1427/4885ALOX5 1318/4885PTPN1 15/4885
US-20080146574-A1 Heterocycle Substituted Carboxylic Acids PTPRC, PTPRS, PTPRJ KDM4E 1427/4885ALOX5 1318/4885PTPN1 15/4885

“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.