SCHEMBL9923017

SCHEMBL9923017

CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(C)s4)cc3)cc(-c3ccccc3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 3/20 0.45
ESR1 P03372 2/20 0.45
ESR2 Q92731 2/20 0.45
P2RY12 Q9H244 1/20 0.41
CA12 O43570 3/20 0.35
CA9 Q16790 3/20 0.35
BRD4 O60885 2/20 0.35
LMNA P02545 1/20 0.34
PPARG P37231 2/20 0.34
CA1 P00915 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA2 P00918 1/20 0.33
DHODH Q02127 1/20 0.33
MAPT P10636 1/20 0.33
CNR1 P21554 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
SCHEMBL9922787 0.92 P2RY12 (0.50) ESRRAESR1ESR2P2RY12CA12
SCHEMBL9922785 0.89 ESRRA (0.42) ESRRAESR1ESR2P2RY12CA12
SCHEMBL13182775 0.88 P2RY12 (0.40) ESRRAESR1ESR2P2RY12CA12
SCHEMBL12177271 0.88 P2RY12 (0.35) ESRRAESR1ESR2P2RY12CA12
SCHEMBL12177298 0.88 P2RY12 (0.39) ESRRAESR1ESR2P2RY12CA12
SCHEMBL12161546 0.88 ESRRA (0.43) ESRRAESR1ESR2P2RY12CA12
SCHEMBL13638621 0.84 P2RY12 (0.42) P2RY12CA12CA9BRD4PPARG
SCHEMBL9923020 0.84 P2RY12 (0.41) ESRRAP2RY12CA12CA9BRD4
SCHEMBL9922788 0.84 P2RY12 (0.49) ESRRAESR1ESR2P2RY12LMNA
SCHEMBL12177188 0.82 P2RY12 (0.40) P2RY12CA12CA9BRD4PPARG

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 2 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-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2008-08-14 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 (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-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PIGS, GP6, ASGR1 ESRRA 3854/4885ESR1 3622/4885ESR2 3137/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 ESRRA 2670/4885ESR1 2215/4885ESR2 1817/4885

“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.