SCHEMBL4467926

SCHEMBL4467926

COC(=O)C(C)(C)CSCc1ccc(Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.55
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 3/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
ACE P12821 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 1/20 0.41
EPHX1 P07099 2/20 0.41
MAPT P10636 2/20 0.40
GLA P06280 1/20 0.39
HSD17B10 Q99714 1/20 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
SCHEMBL4768519 0.79 KMT2A (0.45) LMNAKMT2AMEN1ALDH1A1RAB9A
SCHEMBL6689309 0.76 ALDH1A1 (0.41) LMNAALDH1A1HPGDCYP2C19SMN1; SMN2
SCHEMBL17451869 0.76 POLB (0.44) LMNAKMT2AALDH1A1KDM4EHPGD
SCHEMBL4460625 0.73 ACE (0.54) LMNAKMT2AMEN1ALDH1A1RAB9A
SCHEMBL8233122 0.72 CYP2C19 (0.45) LMNAALDH1A1RAB9ACYP1A2HPGD
SCHEMBL3702124 0.72 MEN1 (0.56) LMNAKMT2AMEN1ALDH1A1RAB9A
SCHEMBL1748024 0.71 GSK3B (0.48) LMNAKMT2AMEN1ALDH1A1RAB9A
SCHEMBL7352199 0.71 SMN1; SMN2 (0.48) KMT2AMEN1ALDH1A1RAB9AACE
SCHEMBL9166221 0.71 PPARA (0.50) ALDH1A1ACESMN1; SMN2EPHX1MAPT
SCHEMBL4460696 0.71 LMNA (0.52) LMNAKMT2AMEN1ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524878-B2 Phenyl substituted carboxylic acids THE INSTITUTE FOR PHARMACEUTICALS DISCOVERY LLC (US) 2009-04-28 US disclosed
US-7524878-B2 Phenyl substituted carboxylic acids THE INSTITUTE FOR PHARMACEUTICALS DISCOVERY LLC (US) 2009-04-28 US disclosed
US-7524878-B2 Phenyl substituted carboxylic acids THE INSTITUTE FOR PHARMACEUTICALS DISCOVERY LLC (US) 2009-04-28 US disclosed
US-7465825-B2 Phenyl substituted carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2008-12-16 US disclosed
US-7465825-B2 Phenyl substituted carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2008-12-16 US disclosed
US-7465825-B2 Phenyl substituted carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2008-12-16 US disclosed
EP-1836182-A2 HETEROCYCLYLBIPHENYL DERIVATES AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS The Institutes for Pharmaceutical Discovery, LLC (US) 2007-09-26 EP disclosed
US-20060122257-A1 Phenyl substituted carboxylic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC 2006-06-08 US disclosed
WO-2006055625-A2 HETEROCYCLYLBIPHENYL DERIVATES AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2006-05-26 WO disclosed
EP-1620422-A2 PHENYL SUBSTITUTED CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B The Institutes for Pharmaceutical Discovery, LLC (US) 2006-02-01 EP disclosed
US-20050004369-A1 Phenyl substituted carboxylic acids INSTITUTES FOR PHARMACEUTICAL DISCOVERY, L.L.C. 2005-01-06 US disclosed
WO-2004099170-A2 PHENYL SUBSTITUTED CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B 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 (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-20060122257-A1 Phenyl substituted carboxylic acids PTPA, PTPRS, PTPRO LMNA 4253/4885KMT2A 1897/4885MEN1 3606/4885
US-20050004369-A1 Phenyl substituted carboxylic acids PTPA, PTPRS, PTPRO LMNA 4253/4885KMT2A 1897/4885MEN1 3606/4885

“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.