SCHEMBL4225409

SCHEMBL4225409

COC(=O)Cn1c(=O)ccc2cccc(OCc3ccc4ccccc4c3)c21

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 1/20 0.49
CAPN1 P07384 1/20 0.43
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
CCND2 P30279 1/20 0.43
CCND3 P30281 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALOX5 P09917 2/20 0.41
S1PR5 Q9H228 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL1140151 0.88 PTGER3 (0.51) PTGER3CAPN1S1PR5
SCHEMBL1137502 0.83 PTGER3 (0.62) PTGER3KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL1137809 0.75 PTGER3 (0.64) PTGER3KDM4EALDH1A1MEN1KMT2A
SCHEMBL1137965 0.74 S1PR5 (0.48) KDM4EALOX5S1PR5MEN1KMT2A
SCHEMBL7787014 0.74 CAPN1 (0.57) CAPN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL9346892 0.72 CAPN1 (0.55) CAPN1ALDH1A1ALOX5SMN1; SMN2
SCHEMBL29143300 0.72 HTR6 (0.44) CDK4CCND1CCND2CCND3KDM4E
SCHEMBL9950748 0.71 PTGER3 (0.45) PTGER3CDK4CCND1CCND2CCND3
SCHEMBL1137532 0.70 MEN1 (0.45) KDM4EALDH1A1MEN1KMT2A
SCHEMBL1137387 0.70 KDM4E (0.51) KDM4EALDH1A1HSD17B10SMN1; SMN2MEN1

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-20090291948-A1 SULFONAMIDE PERI-SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE DECODE GENETICS EHF (IS) 2009-11-26 US disclosed
US-7598397-B2 Sulfonamide peri-substituted bicyclics for occlusive artery disease DECODE GENETICS EHF (IS) 2009-10-06 US disclosed
US-20060079520-A1 Sulfonamide peri-substituted bicyclics for occlusive artery disease SAGA INVESTMENTS LLC 2006-04-13 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 (2 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-20060079520-A1 Sulfonamide peri-substituted bicyclics for occlusive artery disease PTGIS, PTGIR, PTGS2 PTGER3 19/4885CAPN1 3708/4885CDK4 2189/4885
US-20090291948-A1 SULFONAMIDE PERI-SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE PTGIS, PTGIR, PTGS2 PTGER3 19/4885CAPN1 3708/4885CDK4 2189/4885

“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.