SCHEMBL976069

SCHEMBL976069

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RHOC P08134 12/20 0.36
RHOA P61586 12/20 0.36
UTS2R Q9UKP6 1/20 0.35
CLPP Q16740 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
RORC P51449 1/20 0.33
MAPT P10636 1/20 0.33
CCR2 P41597 1/20 0.33
DDR1 Q08345 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32

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
SCHEMBL976415 0.94 RHOC (0.36) RHOCRHOAUTS2RCLPPCA12
SCHEMBL976736 0.91 CCR2 (0.39) RHOCRHOAUTS2RCLPPRORC
SCHEMBL977203 0.90 GRN (0.36) CA12CA1CA2CA9
SCHEMBL977298 0.90 SCN9A (0.33) CA12CA1CA2CA9
SCHEMBL975158 0.89 CLPP (0.39) RHOCRHOAUTS2RCLPPRORC
SCHEMBL977058 0.88 CA1 (0.35) CA12CA1CA2CA9DDR1
SCHEMBL977820 0.88 CA1 (0.35) UTS2RCA12CA1CA2CA9
SCHEMBL977002 0.87 RHOC (0.43) RHOCRHOACCR2DDR1
SCHEMBL976498 0.86 EGFR (0.38) UTS2RCA12CA1CA2CA9
SCHEMBL977821 0.86 WDR5 (0.42) RHOCRHOAMRGPRX4

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 576/4885UTS2R 337/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B RHOC 233/4885RHOA 576/4885UTS2R 337/4885

“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.