SCHEMBL6101739

SCHEMBL6101739

CS(=O)(=O)c1ccc(C2=C(c3ccc4c(c3)OCO4)C(=O)C=C2)cc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.59
PTGS1 P23219 5/20 0.54
CA12 O43570 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
EDNRB P24530 1/20 0.47
EDNRA P25101 1/20 0.47

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
SCHEMBL3836047 0.78 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL8654540 0.74 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7000824 0.74 PTGS2 (0.55) PTGS2PTGS1CA12CA2CA9
SCHEMBL6990927 0.74 PTGS2 (0.64) PTGS2PTGS1EDNRBEDNRA
SCHEMBL10073203 0.74 PTGS2 (0.64) PTGS2PTGS1CA12CA2CA9
SCHEMBL6725632 0.72 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6997643 0.71 PTGS2 (0.51) PTGS2PTGS1CA12CA2CA9
SCHEMBL8383818 0.70 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL3822447 0.69 PTGS2 (0.55) PTGS2PTGS1CA12CA2CA9
SCHEMBL5723798 0.68 PTGS2 (0.62) PTGS2PTGS1CA12CA2CA9

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-7109214-B2 Substituted cyclopentene compounds GRUNENTHAL GMBH (DE) 2006-09-19 US disclosed
US-20050272955-A1 Substituted cyclopentene compounds GRUNENTHAL GMBH (DE) 2005-12-08 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-20050272955-A1 Substituted cyclopentene compounds SQLE, CYP3A5, CYP2F1 PTGS2 306/4885PTGS1 141/4885CA12 1220/4885

“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.