SCHEMBL12020596

SCHEMBL12020596

COc1cc(C)c(S(=O)(=O)C(C)CCOCC(=O)N(C)Cc2ccc(-c3cn(C)cn3)cc2)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 9/20 0.49
KAT8 Q9H7Z6 8/20 0.40
KAT6A Q92794 2/20 0.39
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL3439715 0.85 BDKRB1 (0.67) BDKRB1
SCHEMBL4844745 0.81 BDKRB1 (0.75) BDKRB1
SCHEMBL13063104 0.80 BDKRB1 (0.48) BDKRB1KAT8KAT6AMAPK1MEN1
SCHEMBL15372673 0.76 BDKRB1 (0.41) BDKRB1MAPK1MEN1KMT2ANPC1
SCHEMBL3440159 0.75 BDKRB1 (0.66) BDKRB1
SCHEMBL14304352 0.73 BDKRB1 (0.61) BDKRB1
SCHEMBL3440102 0.72 BDKRB1 (0.50) BDKRB1
SCHEMBL4780362 0.71 BDKRB1 (0.40) BDKRB1
SCHEMBL3440243 0.70 BDKRB1 (0.65) BDKRB1
SCHEMBL3439852 0.69 BDKRB1 (0.69) BDKRB1

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-8450306-B2 Bradykinin B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
US-20110294775-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-01 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-20110294775-A1 NOVEL COMPOUNDS TRPV1, OPRL1, TRPA1 BDKRB1 80/4885KAT8 2753/4885KAT6A 1924/4885

“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.