SCHEMBL9922927

SCHEMBL9922927

Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3ccc4cc(NCCN5CCCC5)ccc4c3=O)nc2)s1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.36
MCHR1 Q99705 1/20 0.35
TERT O14746 1/20 0.34
CSNK2A1 P68400 1/20 0.34
PRMT3 O60678 1/20 0.34
P2RY12 Q9H244 1/20 0.34
CTNNB1 P35222 1/20 0.33
TCF7L2 Q9NQB0 1/20 0.33
KCNH2 Q12809 2/20 0.33
KIT P10721 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
HTR4 Q13639 1/20 0.33

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
SCHEMBL14228569 0.96 HRH3 (0.38) HRH3CSNK2A1KCNH2ADRA2AADRA2B
SCHEMBL14228570 0.95 HRH3 (0.39) HRH3CSNK2A1KCNH2ADRA2AADRA2B
SCHEMBL12161248 0.93 P2RY12 (0.39) HRH3TERTP2RY12KCNH2ADRA2A
SCHEMBL9922925 0.92 P2RY12 (0.39) HRH3TERTP2RY12KCNH2ADRA2A
SCHEMBL14228346 0.89 P2RY12 (0.39) HRH3TERTP2RY12KCNH2
SCHEMBL9922918 0.89 P2RY12 (0.37) HRH3P2RY12KCNH2ADRA2AADRA2B
SCHEMBL9923192 0.88 HRH3 (0.36) HRH3MCHR1TERTP2RY12CTNNB1
SCHEMBL9922709 0.88 P2RY12 (0.37) HRH3P2RY12KCNH2ADRA2AADRA2B
SCHEMBL12177212 0.88 P2RY12 (0.34) PRMT3P2RY12KIT
SCHEMBL9922926 0.86 KMT2A (0.42) CSNK2A1P2RY12KCNH2

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 HRH3 1906/4885MCHR1 3938/4885TERT 2603/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 HRH3 1858/4885MCHR1 3907/4885TERT 2585/4885

“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.