SCHEMBL976058

SCHEMBL976058

COC(=O)c1cc(NS(=O)(=O)CC2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)cc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.38
CNR1 P21554 1/20 0.37
RHOA P61586 11/20 0.36
RHOC P08134 10/20 0.36
NOTUM Q6P988 1/20 0.36
SLC6A9 P48067 1/20 0.36
UTS2R Q9UKP6 1/20 0.35
CLPP Q16740 1/20 0.35
CNR2 P34972 2/20 0.35
P2RX1 P51575 1/20 0.35

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
SCHEMBL977821 0.90 WDR5 (0.42) RHOARHOCSLC6A9P2RX1
SCHEMBL975275 0.89 SLC6A9 (0.39) ATMCNR1SLC6A9
SCHEMBL977022 0.88 SLC6A9 (0.37) ATMCNR1SLC6A9
SCHEMBL977237 0.86 SLC6A9 (0.37) ATMSLC6A9UTS2RCNR2
SCHEMBL975711 0.86 SLC6A9 (0.37) ATMCNR1SLC6A9
SCHEMBL976319 0.85 CCR2 (0.42) RHOARHOCUTS2RCLPP
SCHEMBL976736 0.85 CCR2 (0.39) RHOARHOCUTS2RCLPP
SCHEMBL977002 0.85 RHOC (0.43) RHOARHOC
SCHEMBL979165 0.84 SLC6A9 (0.36) ATMCNR1SLC6A9
SCHEMBL976415 0.84 RHOC (0.36) RHOARHOCUTS2RCLPP

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-20130237513-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI (FR) 2013-09-12 US claimed
EP-2234966-B1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI SA (FR) 2013-09-11 EP 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 ATM 3498/4885CNR1 250/4885RHOA 576/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B ATM 3498/4885CNR1 250/4885RHOA 576/4885

“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.