SCHEMBL4375211

SCHEMBL4375211

N#Cc1ccsc1-c1ccc(C=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.53
EGFR P00533 2/20 0.39
CYP2A6 P11509 4/20 0.37
HSD17B10 Q99714 1/20 0.33
ALDH5A1 P51649 1/20 0.33
ABAT P80404 1/20 0.33
DRD1 P21728 1/20 0.33
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 5/20 0.31
KDM4E B2RXH2 2/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TYR P14679 1/20 0.31

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
SCHEMBL8280634 0.76 PTGS1 (0.41) PTGS1LMNANPSR1
SCHEMBL8315343 0.76 PTGS2 (0.44) PTGS1CYP2A6NPSR1ALDH1A1KDM4E
SCHEMBL29084986 0.76 ESR2 (0.48) PTGS1ALDH1A1SMN1; SMN2
SCHEMBL6064370 0.75 GRM6 (0.44) PTGS1LMNANPSR1ALDH1A1KDM4E
SCHEMBL5963985 0.74 PTGS1 (0.56) PTGS1CYP2A6ALDH1A1TYR
SCHEMBL9170219 0.74 PTGS1 (0.51) PTGS1EGFRCYP2A6HSD17B10ALDH5A1
SCHEMBL28481246 0.73 EGFR (0.63) PTGS1EGFRHSD17B10LMNANPSR1
SCHEMBL9019517 0.73 PTGS1 (0.38) PTGS1CYP2A6HSD17B10LMNANPSR1
SCHEMBL4948071 0.73 PTGS1 (0.54) PTGS1CYP2A6HSD17B10ALDH5A1ABAT
SCHEMBL8315675 0.71 PTGS1 (0.38) PTGS1LMNANPSR1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7625932-B2 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2009-12-01 US disclosed
US-7625932-B2 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2009-12-01 US disclosed
EP-1670757-B1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2009-05-06 EP disclosed
EP-1670757-B1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2009-05-06 EP disclosed
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY 2007-03-22 US disclosed
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY 2007-03-22 US disclosed
EP-1670757-A1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2006-06-21 EP disclosed
WO-2005040110-A1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2005-05-06 WO disclosed
WO-2005040110-A1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2005-05-06 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 (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-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors GRIN1, GRIN3A, GRIK5 PTGS1 1367/4885EGFR 1225/4885CYP2A6 3572/4885

“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.