SCHEMBL4460696

SCHEMBL4460696

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ACE P12821 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
EPHX1 P07099 2/20 0.46
ALDH1A1 P00352 4/20 0.45
RAB9A P51151 1/20 0.45
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 1/20 0.41
GAA P10253 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL4467813 0.86 MAPK1 (0.52) LMNAMEN1KMT2AACENPSR1
SCHEMBL4460625 0.79 ACE (0.54) LMNAMEN1KMT2AACENPSR1
SCHEMBL3702124 0.76 MEN1 (0.56) LMNAMEN1KMT2ANPSR1ALDH1A1
SCHEMBL13610028 0.73 TP53 (0.47) MEN1KMT2AACEALDH1A1RAB9A
SCHEMBL25220488 0.72 ACE (0.54) ACEEPHX1ALDH1A1CYP1A2CYP2C9
SCHEMBL1277994 0.71 GAA (0.52) LMNAACEEPHX1ALDH1A1RAB9A
SCHEMBL3021211 0.71 GAA (0.52) LMNAACEEPHX1ALDH1A1RAB9A
SCHEMBL3748392 0.71 GAA (0.52) LMNAACEEPHX1ALDH1A1RAB9A
SCHEMBL4467926 0.71 LMNA (0.55) LMNAMEN1KMT2AACENPSR1
Hydrochloric Acid SCHEMBL1277991 0.70 GAA (0.51) LMNAACEEPHX1ALDH1A1RAB9A

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-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-20060122257-A1 Phenyl substituted carboxylic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC 2006-06-08 US 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 4253/4885MEN1 3606/4885KMT2A 1897/4885
US-20050004369-A1 Phenyl substituted carboxylic acids PTPA, PTPRS, PTPRO LMNA 4253/4885MEN1 3606/4885KMT2A 1897/4885

“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.