SCHEMBL4374176

SCHEMBL4374176

CCCS(=O)(=O)Nc1ccccc1-c1ccc(Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.53
FEN1 P39748 4/20 0.53
PARP14 Q460N5 2/20 0.51
PTGES2 Q9H7Z7 1/20 0.46
GRIA4 P48058 1/20 0.42
KCNA5 P22460 1/20 0.41
BRD4 O60885 1/20 0.41
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
LMNA P02545 1/20 0.41
CA9 Q16790 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
AURKA O14965 1/20 0.41
KDR P35968 1/20 0.41
AURKB Q96GD4 1/20 0.41
SLC22A12 Q96S37 1/20 0.41
EDNRB P24530 1/20 0.41
EDNRA P25101 1/20 0.41
PSIP1 O75475 1/20 0.41
PTGS1 P23219 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
SCHEMBL9902654 0.81 ALOX5AP (0.58) ALOX5APFEN1PARP14
SCHEMBL15915643 0.78 PARP14 (0.48) PARP14PTGES2KCNA5BRD4AURKA
SCHEMBL4376228 0.77 LPL (0.47) ALOX5APFEN1PARP14CA12CA2
SCHEMBL4374171 0.76 ALOX5AP (0.52) ALOX5APFEN1GRIA4CA12CA2
SCHEMBL7049919 0.74 PARP14 (0.50) PARP14
SCHEMBL4766928 0.74 CA1 (0.52) BRD4CA12CA2LMNACA9
SCHEMBL10192207 0.73 TP53 (0.51) PARP14KCNA5BRD4PSIP1PTGS1
SCHEMBL28215783 0.73 PARP14 (0.52) PARP14PTGES2KCNA5LMNAAURKA
SCHEMBL1290980 0.72 IRAK4 (0.73) ALOX5APFEN1PARP14KDR
SCHEMBL9901492 0.72 ALOX5AP (0.59) ALOX5APFEN1PARP14

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
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

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 ALOX5AP 1152/4885FEN1 3482/4885PARP14 3385/4885

“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.