SCHEMBL3754544

SCHEMBL3754544

CSc1ccc(Cn2cc(CC(C)C)cc2C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 1/20 0.41
SLC6A4 P31645 6/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
MAOA P21397 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
NPC1 O15118 1/20 0.38
NR2F2 P24468 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 2/20 0.37
AKR1C2 P52895 2/20 0.36
ACACB O00763 1/20 0.36
AKR1C1 Q04828 1/20 0.36

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
SCHEMBL2660918 0.85 PTGS2 (0.45) SMN1; SMN2POLBAKR1C2AKR1C1PTGS1
SCHEMBL2661840 0.85 NOTUM (0.43) GAALMNATSHR
SCHEMBL2662441 0.84 CA12 (0.40) SMN1; SMN2POLBPTGS1PTGS2LMNA
SCHEMBL2660392 0.82 ABCB11 (0.47)
SCHEMBL3743679 0.81 L3MBTL1 (0.44) KDM4ESMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL2660919 0.81 CCR2 (0.42) SMN1; SMN2MEN1KMT2AALDH1A1AKR1C2
SCHEMBL2656769 0.80 P2RY14 (0.39) ALDH1A1AKR1C2PTGS1PTGS2LMNA
SCHEMBL3754655 0.79 CCR2 (0.41) KDM4ESMN1; SMN2AKR1C2AKR1C1TSHR
SCHEMBL2662103 0.79 CCR2 (0.41) AKR1C2AKR1C1
SCHEMBL2662009 0.79 KDM4E (0.49) KDM4EMEN1KMT2AALDH1A1MAPT

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 KDM4E 1195/4885SMN1; SMN2 2730/4885MEN1 4123/4885

“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.