SCHEMBL9923007

SCHEMBL9923007

CNc1ccc2c(=O)n(-c3ccc(C(=O)NS(=O)(=O)c4ccc(Cl)s4)nn3)c(=O)[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 2/20 0.54
MAPT P10636 5/20 0.34
ERCC1 P07992 1/20 0.34
FEN1 P39748 1/20 0.34
ERCC4 Q92889 1/20 0.34
MEN1 O00255 6/20 0.33
KMT2A Q03164 6/20 0.33
SMN1; SMN2 Q16637 5/20 0.33
LMNA P02545 5/20 0.33
HTT P42858 3/20 0.33
RECQL P46063 2/20 0.33
GAA P10253 1/20 0.33
KIT P10721 1/20 0.33
EGLN3 Q9H6Z9 1/20 0.33
TP53 P04637 1/20 0.32
HTR6 P50406 1/20 0.32
ALDH1A1 P00352 3/20 0.32
POLB P06746 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL12177346 0.92 P2RY12 (0.46) P2RY12MAPTERCC1FEN1ERCC4
SCHEMBL9923004 0.88 P2RY12 (0.52) P2RY12MAPTERCC1FEN1ERCC4
SCHEMBL9923172 0.88 P2RY12 (0.62) P2RY12MAPTERCC1FEN1ERCC4
SCHEMBL9922330 0.84 P2RY12 (0.62) P2RY12MAPTERCC1FEN1ERCC4
SCHEMBL13635285 0.84 P2RY12 (0.63) P2RY12MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL14200766 0.83 P2RY12 (0.53) P2RY12MAPTERCC1FEN1ERCC4
SCHEMBL9922487 0.82 P2RY12 (0.78) P2RY12MAPTERCC1FEN1ERCC4
SCHEMBL9922414 0.82 P2RY12 (0.58) P2RY12MAPTERCC1FEN1ERCC4
SCHEMBL13638707 0.81 P2RY12 (0.54) P2RY12ERCC1FEN1ERCC4KIT
SCHEMBL9922412 0.81 P2RY12 (0.54) P2RY12MAPTERCC1FEN1ERCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524721-B2 Platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2013-09-03 US disclosed
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
US-7358257-B2 sulfonylurea derivatives, sulfonylthiourea derivatives, sulfonylguanidine derivatives, sulfonylcyanoguanidine derivatives, thioacylsulfonamide derivatives, and acylsulfonamide derivatives; effective for prevention and treatment of cardiovascular diseases, antithrombotic agents PORTOLA PHARMACEUTICALS, INC. (US) 2008-04-15 US disclosed
US-7358257-B2 sulfonylurea derivatives, sulfonylthiourea derivatives, sulfonylguanidine derivatives, sulfonylcyanoguanidine derivatives, thioacylsulfonamide derivatives, and acylsulfonamide derivatives; effective for prevention and treatment of cardiovascular diseases, antithrombotic agents PORTOLA PHARMACEUTICALS, INC. (US) 2008-04-15 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 19/4885MAPT 4832/4885ERCC1 4645/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 P2RY12 18/4885MAPT 4832/4885ERCC1 4644/4885

“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.