SCHEMBL9922975

SCHEMBL9922975

CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4cc(Cl)c(C)s4)cc3)cc(S)c2c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.42
CA12 O43570 5/20 0.34
CA9 Q16790 5/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PPARG P37231 1/20 0.31
PTGER3 P43115 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL13638573 0.92 P2RY12 (0.43) P2RY12CA12CA9CA1CA2
SCHEMBL12177655 0.91 P2RY12 (0.38) P2RY12CA12CA9CA1CA2
SCHEMBL9922151 0.88 P2RY12 (0.41) P2RY12CA12CA9CA1CA2
SCHEMBL9922152 0.88 P2RY12 (0.41) P2RY12CA12CA9CA1CA2
SCHEMBL9922465 0.88 P2RY12 (0.53) P2RY12CA12CA9CA1CA2
SCHEMBL9922150 0.88 P2RY12 (0.41) P2RY12CA12CA9CA1CA2
SCHEMBL9922785 0.87 ESRRA (0.42) P2RY12CA12CA9CA1CA2
SCHEMBL9922970 0.86 P2RY12 (0.40) P2RY12CA12CA9CA1CA2
SCHEMBL9922777 0.86 P2RY12 (0.40) P2RY12CA12CA9CA1CA2
SCHEMBL9922974 0.82 MAPT (0.39) P2RY12CA9CA1CA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-06-14 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-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 P2RY12 18/4885CA12 4616/4885CA9 1974/4885

“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.