SCHEMBL9922779

SCHEMBL9922779

Cc1cc(S(=O)(=O)NC(=O)Nc2ccc(-n3c4c(c5ccccc5c3=O)CNC4)cc2)sc1Cl

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.45
PPARG P37231 4/20 0.38
MAPT P10636 3/20 0.37
KDM4E B2RXH2 1/20 0.37
CA12 O43570 4/20 0.35
CA9 Q16790 4/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 2/20 0.33
PTGER3 P43115 1/20 0.32
TP53 P04637 2/20 0.32
LMNA P02545 2/20 0.31
IDH1 O75874 2/20 0.31
KDR P35968 1/20 0.31
FBP1 P09467 1/20 0.31

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
SCHEMBL12161552 0.92 P2RY12 (0.44) P2RY12PPARGMAPTKDM4ECA12
SCHEMBL9922782 0.87 P2RY12 (0.43) P2RY12PPARGMAPTKDM4ECA12
SCHEMBL9923095 0.86 P2RY12 (0.53) P2RY12PPARGMAPTKDM4ELMNA
SCHEMBL12161551 0.79 P2RY12 (0.43) P2RY12PPARGMAPTKDM4ECA12
SCHEMBL9922812 0.77 P2RY12 (0.46) P2RY12MAPTKDM4ECA12CA9
SCHEMBL9922311 0.75 P2RY12 (0.43) P2RY12MAPTKDM4ECA12CA9
SCHEMBL12177272 0.75 P2RY12 (0.36) P2RY12PPARGKDM4ECA12CA9
SCHEMBL9923097 0.74 P2RY12 (0.52) P2RY12PPARGMAPTKDM4ETP53
SCHEMBL17715364 0.73 MAPT (0.49) MAPTKDM4ECA12CA9CA1
SCHEMBL12161522 0.72 P2RY12 (0.44) P2RY12PPARGMAPTKDM4ECA12

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-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-8067428-B2 Platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2011-11-29 US disclosed
US-20100234350-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2010-09-16 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-20100234350-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 P2RY12 19/4885PPARG 312/4885MAPT 4832/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 P2RY12 18/4885PPARG 301/4885MAPT 4832/4885

“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.