SCHEMBL12177232

SCHEMBL12177232

Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3c(C)nc4cc(NC5CC5)ccc4c3=O)cc2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.43
TP53 P04637 3/20 0.41
PPARG P37231 5/20 0.40
NOD1 Q9Y239 1/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
HDAC3 O15379 1/20 0.38
APP P05067 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
MAPK1 P28482 1/20 0.36

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
SCHEMBL9922361 0.93 P2RY12 (0.52) P2RY12TP53PPARGNOD1MAPT
SCHEMBL12177306 0.89 KMT2A (0.39) P2RY12TP53PPARGNOD1
SCHEMBL13638710 0.88 P2RY12 (0.40) P2RY12PPARGNOD1
SCHEMBL14228574 0.88 P2RY12 (0.42) P2RY12TP53PPARGNOD1MAPT
SCHEMBL9922360 0.86 P2RY12 (0.45) P2RY12TP53PPARGNOD1MAPT
SCHEMBL13638369 0.85 ESR1 (0.38) P2RY12PPARG
SCHEMBL14228575 0.85 P2RY12 (0.45) P2RY12TP53PPARGNOD1MAPT
SCHEMBL13638511 0.85 P2RY12 (0.45) P2RY12TP53PPARGNOD1MAPT
SCHEMBL13638630 0.83 P2RY12 (0.56) P2RY12TP53PPARGMAPTLMNA
SCHEMBL9923217 0.83 HRH3 (0.47) P2RY12TP53PPARGNOD1HRH3

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-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 (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-20100234350-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 P2RY12 19/4885TP53 4462/4885PPARG 312/4885

“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.