SCHEMBL8288399

SCHEMBL8288399

N#Cc1ccsc1-c1ccc(B(O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 5/20 0.47
CA2 P00918 3/20 0.39
CA1 P00915 2/20 0.39
MGLL Q99685 1/20 0.39
PTGS1 P23219 1/20 0.38
TSHR P16473 1/20 0.33
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 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

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
SCHEMBL29084986 0.79 ESR2 (0.48) CA2PTGS1CA6CA14SMN1; SMN2
SCHEMBL8280634 0.76 PTGS1 (0.41) PTGS1LMNANPSR1
SCHEMBL8315343 0.76 PTGS2 (0.44) PTGS1NPSR1KDM4ERAB9ASMN1; SMN2
SCHEMBL3142128 0.76 PTGS1 (0.41) PTGS1LMNANPSR1RAB9ASMN1; SMN2
SCHEMBL6064370 0.75 GRM6 (0.44) PTGS1TSHRLMNANPSR1KDM4E
SCHEMBL9019517 0.73 PTGS1 (0.38) PTGS1TSHRLMNANPSR1KDM4E
SCHEMBL8315675 0.71 PTGS1 (0.38) PTGS1TSHRLMNANPSR1POLB
SCHEMBL4375211 0.71 PTGS1 (0.53) PTGS1LMNANPSR1KDM4EPOLB
SCHEMBL2182207 0.71 ENPP2 (0.35) ENPP2LMNANPSR1KDM4EPOLB
SCHEMBL4381623 0.69 ESR2 (0.65) ENPP2CA2CA1MGLLCA4

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 3 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-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY 2007-03-22 US 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 ENPP2 3861/4885CA2 3445/4885CA1 1383/4885

“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.