SCHEMBL9922286

SCHEMBL9922286

Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(N3C(=O)Cc4cc(NCCN5CCCCC5)ccc4C3=O)cc2)s1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.38
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
TERT O14746 5/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KCNH2 Q12809 1/20 0.34
P2RY12 Q9H244 1/20 0.34

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
SCHEMBL14228347 0.99 HRH3 (0.37) HRH3BRD4CREBBPTERTALDH1A1
SCHEMBL14113768 0.96 HRH3 (0.41) HRH3BRD4CREBBPTERTKCNH2
SCHEMBL9922423 0.93 HTT (0.41) BRD4CREBBPMAPT
SCHEMBL12160785 0.91 PSEN1 (0.42) HRH3TERTALDH1A1MAPTP2RY12
SCHEMBL9922424 0.90 P2RY12 (0.42) HRH3TERTKCNH2P2RY12
SCHEMBL12177249 0.90 BRD4 (0.38) HRH3BRD4CREBBPTERTALDH1A1
SCHEMBL13638507 0.90 BRD4 (0.38) HRH3BRD4CREBBPTERTALDH1A1
SCHEMBL9922849 0.90 HRH3 (0.37) HRH3TERTALDH1A1MAPTKCNH2
SCHEMBL9922278 0.89 HRH3 (0.36) HRH3BRD4CREBBPTERTKCNH2
SCHEMBL12177620 0.89 BRD4 (0.37) BRD4CREBBPALDH1A1P2RY12

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 HRH3 2498/4885BRD4 3757/4885CREBBP 3537/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 HRH3 1858/4885BRD4 3064/4885CREBBP 3041/4885

“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.