SCHEMBL9922631

SCHEMBL9922631

CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(C)s4)cc3Cl)cc(S)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 2/20 0.40
CA12 O43570 6/20 0.35
CA9 Q16790 6/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
TRPV1 Q8NER1 1/20 0.31
MEN1 O00255 2/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
KCNA1 Q09470 1/20 0.30
KCNAB1 Q14722 1/20 0.30
CNR1 P21554 1/20 0.30
IDH1 O75874 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL14113672 0.93 P2RY12 (0.47) P2RY12CA12CA9CA1CA2
SCHEMBL9922630 0.92 P2RY12 (0.42) P2RY12CA12CA9CA1CA2
SCHEMBL9922284 0.90 P2RY12 (0.42) P2RY12CA12CA9CA1CA2
SCHEMBL9922618 0.89 P2RY12 (0.39) P2RY12CA12CA9CA1CA2
SCHEMBL9922629 0.88 P2RY12 (0.39) P2RY12CA12CA9CA1CA2
SCHEMBL12177298 0.87 P2RY12 (0.39) P2RY12CA12CA9CA1CA2
SCHEMBL12177269 0.87 P2RY12 (0.46) P2RY12CA12CA9CA1CA2
SCHEMBL9922426 0.86 P2RY12 (0.38) P2RY12CA12CA9CA1CA2
SCHEMBL12177070 0.86 P2RY12 (0.48) P2RY12CA12CA9CA1CA2
SCHEMBL12177268 0.86 P2RY12 (0.38) P2RY12CA12CA9CA1CA2

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.