SCHEMBL9922642

SCHEMBL9922642

Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3ccc4cc5[nH]cnc5cc4c3=O)c(I)c2)s1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.34
QPCT Q16769 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
IDH1 O75874 1/20 0.32
KIT P10721 2/20 0.31
POLB P06746 2/20 0.31
EPHX1 P07099 2/20 0.31
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
EGFR P00533 1/20 0.31
PDGFRB P09619 1/20 0.31
FGFR1 P11362 1/20 0.31
FLT1 P17948 1/20 0.31
KDR P35968 1/20 0.31
EPHB4 P54760 1/20 0.31
TEK Q02763 1/20 0.31
KHK P50053 1/20 0.30
KCNA1 Q09470 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
SCHEMBL12177235 0.93 P2RY12 (0.37) P2RY12QPCTNPC1RAB9ASMN1; SMN2
SCHEMBL13182767 0.91 P2RY12 (0.39) P2RY12QPCTNPC1RAB9ASMN1; SMN2
SCHEMBL12177273 0.90 P2RY12 (0.37) P2RY12QPCTNPC1RAB9ASMN1; SMN2
SCHEMBL14113533 0.88 P2RY12 (0.39) P2RY12QPCTNPC1RAB9ASMN1; SMN2
SCHEMBL14113530 0.86 P2RY12 (0.35) P2RY12QPCTNPC1RAB9ASMN1; SMN2
SCHEMBL12161004 0.85 P2RY12 (0.43) P2RY12QPCTSMN1; SMN2KITEPHX1
SCHEMBL9922620 0.84 CHRM5 (0.33) P2RY12NPC1RAB9ASMN1; SMN2BRD4
SCHEMBL13638697 0.83 P2RY12 (0.35) P2RY12QPCTNPC1RAB9ASMN1; SMN2
SCHEMBL9922077 0.82 P2RY12 (0.47) P2RY12QPCTNPC1RAB9ASMN1; SMN2
SCHEMBL9922428 0.82 P2RY12 (0.43) P2RY12QPCTSMN1; SMN2EPHX1

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 18/4885QPCT 3147/4885NPC1 3099/4885

“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.