SCHEMBL3743722

SCHEMBL3743722

CC(C)C(O)c1cc(C(=O)Nc2nc(CC(=O)O)cs2)n(Cc2ccc(F)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SCD O00767 6/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
LMNA P02545 1/20 0.41
DNM1L O00429 2/20 0.41
CPT1A P50416 1/20 0.40
CPT1B Q92523 1/20 0.40
CACNA1G O43497 1/20 0.40
CACNA1H O95180 1/20 0.40
CACNA1I Q9P0X4 1/20 0.40
MME P08473 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 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
SCHEMBL3748993 0.92 CPT1A (0.46) ALDH1A1SCDRAB9ANPC1GAA
SCHEMBL2660572 0.91 CACNA1G (0.43) ALDH1A1SCDRAB9ANPC1GAA
SCHEMBL3748521 0.91 ALDH1A1 (0.45) ALDH1A1KDM4ESCDRAB9ANPC1
SCHEMBL3749465 0.91 SCD (0.45) ALDH1A1SCDRAB9ANPC1GAA
SCHEMBL2660784 0.90 SCD (0.43) ALDH1A1SCDRAB9ANPC1GAA
SCHEMBL2661940 0.89 CPT1A (0.40) ALDH1A1KDM4ESCDRAB9ANPC1
SCHEMBL3751839 0.88 SCD (0.44) ALDH1A1SCDRAB9ANPC1GAA
SCHEMBL3749747 0.87 SCD (0.44) ALDH1A1SCDRAB9ANPC1GAA
SCHEMBL3746613 0.85 PDE5A (0.49) ALDH1A1KDM4ESCDRAB9ANPC1
SCHEMBL3746559 0.84 CPT1A (0.49) ALDH1A1SCDRAB9ANPC1GAA

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
EP-2155720-B1 PYRROLE-2-CARBOXAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS PRIVATE LTD (IN) 2013-07-17 EP claimed
US-8299115-B2 Pyrrole-2-carboxamide derivatives as glucokinase activators, their process and pharmaceutical application ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2012-10-30 US claimed
US-20100292143-A1 PYRROLE-2-CARBOXAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2010-11-18 US claimed
EP-2155720-B1 PYRROLE-2-CARBOXAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS PRIVATE LTD (IN) 2013-07-17 EP disclosed
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 ALDH1A1 1904/4885KDM4E 1195/4885SCD 524/4885

“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.