SCHEMBL3748911

SCHEMBL3748911

CC(C)Cc1cc(C(=O)O)n(CCc2ccc(F)cc2F)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 13/20 0.40
HTR2C P28335 12/20 0.40
NPBWR1 P48145 1/20 0.36
MCHR1 Q99705 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALKBH1 Q13686 1/20 0.35
MME P08473 1/20 0.35
ACE P12821 1/20 0.35
CPA1 P15085 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
MAOB P27338 1/20 0.35
KCNH2 Q12809 2/20 0.35
DRD2 P14416 1/20 0.35
HDAC1 Q13547 1/20 0.35

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
SCHEMBL2657294 0.88 PTGDR2 (0.42) KDM4EALDH1A1ALKBH1HDAC1
SCHEMBL3748666 0.79 PTGDR2 (0.41) ALDH1A1ALKBH1HDAC1
SCHEMBL2661774 0.79 MEN1 (0.47) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2662441 0.78 CA12 (0.40) HTR2A
SCHEMBL2659657 0.77 CCR2 (0.41) KDM4EALDH1A1HPGDHSD17B10MME
SCHEMBL3741636 0.76 ALKBH1 (0.35) HTR2AALKBH1
SCHEMBL2661546 0.75 MCL1 (0.41) MAOB
SCHEMBL2661140 0.75 CYP2D6 (0.46) KDM4EALDH1A1MAOB
SCHEMBL2659965 0.74 PTGDR2 (0.44) KDM4EALDH1A1ALKBH1HDAC1
SCHEMBL2662341 0.74 CNR1 (0.41) KDM4EALDH1A1HPGDHSD17B10MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299115-B2 Pyrrole-2-carboxamide derivatives as glucokinase activators, their process and pharmaceutical application ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2012-10-30 US disclosed
US-20100292143-A1 PYRROLE-2-CARBOXAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2010-11-18 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 (1 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-20100292143-A1 PYRROLE-2-CARBOXAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION GCK, PCK1, GCKR HTR2A 1045/4885HTR2C 1102/4885NPBWR1 4081/4885

“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.