SCHEMBL9923203

SCHEMBL9923203

Cc1nc2c3c(ccc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)C2=CCC(Cl)S2)cc1)NCC3

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.36
P2RY12 Q9H244 1/20 0.34
TP53 P04637 2/20 0.34
KDR P35968 4/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 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
SCHEMBL12161449 0.83 P2RY12 (0.51) PPARGP2RY12TP53KDRLMNA
SCHEMBL14113710 0.82 PPARG (0.40) PPARGP2RY12TP53KDRHDAC1
SCHEMBL9923168 0.81
SCHEMBL14113540 0.80 PPARG (0.40) PPARGP2RY12TP53HDAC1HDAC10
SCHEMBL13638508 0.77 P2RY12 (0.33) P2RY12
SCHEMBL12177258 0.75 HPD (0.34) PPARGP2RY12MAPT
SCHEMBL13638709 0.75 HRH3 (0.45) PPARGTP53
SCHEMBL9922745 0.73 P2RY12 (0.41) P2RY12LMNAMAPT
SCHEMBL14228359 0.73 P2RY12 (0.35) P2RY12
SCHEMBL9922168 0.72 P2RY12 (0.48) P2RY12LMNAMAPT

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 PPARG 312/4885P2RY12 19/4885TP53 4462/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 PPARG 301/4885P2RY12 18/4885TP53 4435/4885

“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.