SCHEMBL3236209

SCHEMBL3236209

COc1cc(C)c(S(=O)(=O)N(C)Cc2cc(C(=O)NCc3cc(CN4CCCC4)ccc3F)co2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.38
WDR5 P61964 1/20 0.36
BCL2A1 Q16548 1/20 0.36
CHRM3 P20309 2/20 0.35
KLKB1 P03952 1/20 0.35
BDKRB1 P46663 1/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
LSS P48449 1/20 0.34
MCHR1 Q99705 1/20 0.34
L3MBTL1 Q9Y468 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
Trifluoroacetic Acid SCHEMBL2243665 0.96 OPRM1 (0.39) LMNAKMT2ATSHRWDR5BCL2A1
SCHEMBL12346824 0.91 HDAC8 (0.36) LMNAKMT2ATSHRKLKB1MCHR1
SCHEMBL2238958 0.90 TSHR (0.47) LMNAKMT2ATSHRKLKB1BDKRB1
SCHEMBL12346812 0.90 ALDH1A1 (0.40) LMNAKMT2ATSHRBDKRB1MCHR1
Trifluoroacetic Acid SCHEMBL3233123 0.89 OPRM1 (0.37) LMNAKMT2ATSHRKLKB1
SCHEMBL12346722 0.89 TSHR (0.47) LMNAKMT2ATSHRL3MBTL1
SCHEMBL12346720 0.89 TSHR (0.47) LMNAKMT2ATSHRL3MBTL1
SCHEMBL13495537 0.89 BDKRB1 (0.37) LMNAKMT2AWDR5BCL2A1BDKRB1
SCHEMBL12346715 0.89 TSHR (0.47) LMNAKMT2ATSHRCHRM3KLKB1
SCHEMBL2237543 0.88 CHRM3 (0.45) KMT2ATSHRWDR5CHRM3KLKB1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010020556-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-02-25 WO claimed
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
WO-2010020556-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-02-25 WO 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-20140073627-A1 BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 LMNA 594/4885KMT2A 1859/4885TSHR 962/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 LMNA 704/4885KMT2A 2057/4885TSHR 1030/4885

“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.