SCHEMBL785628

SCHEMBL785628

CN(C(=O)c1ccc2c(c1)C(NS(=O)(=O)Cc1ccccc1C(F)(F)F)CC2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.37
RORC P51449 2/20 0.36
CCR5 P51681 1/20 0.36
PDK2 Q15119 1/20 0.35
EPHX2 P34913 3/20 0.35
KMT2A Q03164 1/20 0.35
CYP2C9 P11712 2/20 0.34
MCHR1 Q99705 1/20 0.34
SMO Q99835 2/20 0.34
SFRP1 Q8N474 1/20 0.34
PTK2 Q05397 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 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
SCHEMBL785596 0.96 RORC (0.37) F10RORCCCR5PDK2EPHX2
SCHEMBL785209 0.94 F10 (0.37) F10RORCCCR5EPHX2KMT2A
SCHEMBL784495 0.91 RORC (0.36) F10RORCEPHX2CYP2C9PTK2
SCHEMBL785538 0.91 EPHX2 (0.44) F10RORCEPHX2CYP2C9
SCHEMBL784012 0.89 F10 (0.36) F10RORCCCR5PDK2EPHX2
SCHEMBL27920429 0.88 F10 (0.35) F10CCR5PDK2MCHR1SMO
SCHEMBL785267 0.88 F10 (0.37) F10RORCCCR5PDK2EPHX2
SCHEMBL784480 0.86 RORC (0.40) F10RORCCCR5PDK2EPHX2
SCHEMBL785561 0.85 BDKRB1 (0.42) F10
SCHEMBL2840882 0.83 CYP3A4 (0.47) KMT2ACYP2C9SFRP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US claimed
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 CN claimed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US claimed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 CN disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 F10 524/4885RORC 4667/4885CCR5 460/4885

“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.