SCHEMBL976415

SCHEMBL976415

CC[C@H](NC(=O)c1cc(NS(=O)(=O)CC2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)cc(C(F)(F)F)c1)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RHOC P08134 6/20 0.36
RHOA P61586 6/20 0.36
CCR1 P32246 2/20 0.36
UTS2R Q9UKP6 1/20 0.35
CLPP Q16740 1/20 0.35
DDR1 Q08345 7/20 0.35
CCR2 P41597 1/20 0.34
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 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
SCHEMBL976069 0.94 RHOC (0.36) RHOCRHOAUTS2RCLPPDDR1
SCHEMBL976736 0.91 CCR2 (0.39) RHOCRHOAUTS2RCLPPDDR1
SCHEMBL977629 0.90 CCR1 (0.37) CCR1CA12CA1CA9
SCHEMBL977225 0.90 CCR1 (0.35) CCR1
SCHEMBL975158 0.89 CLPP (0.39) RHOCRHOACCR1UTS2RCLPP
SCHEMBL975653 0.89 CCR1 (0.36) CCR1DDR1CA12CA1CA9
SCHEMBL976727 0.89 CCR1 (0.36) CCR1UTS2RCA12CA1CA9
SCHEMBL975115 0.86 CCR1 (0.40) CCR1UTS2R
SCHEMBL976413 0.86 IDO1 (0.35) CCR1
SCHEMBL976319 0.86 CCR2 (0.42) RHOCRHOAUTS2RCLPPDDR1

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
EP-2234966-B1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI SA (FR) 2013-09-11 EP claimed
US-8445478-B2 Azetidine derivatives, their preparation and their application in therapy SANOFI (FR) 2013-05-21 US claimed
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI-AVENTIS (FR) 2011-01-13 US claimed
US-20130237513-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI (FR) 2013-09-12 US disclosed
US-8445478-B2 Azetidine derivatives, their preparation and their application in therapy SANOFI (FR) 2013-05-21 US disclosed
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI-AVENTIS (FR) 2011-01-13 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-20130237513-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B RHOC 233/4885RHOA 576/4885CCR1 1721/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B RHOC 233/4885RHOA 576/4885CCR1 1721/4885

“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.