SCHEMBL3404903

SCHEMBL3404903

CS(=O)(=O)N(c1cc(C(=O)NCCO)cc(C(F)(F)F)c1)C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RHOC P08134 7/20 0.42
RHOA P61586 7/20 0.42
DDR1 Q08345 7/20 0.41
NNMT P40261 3/20 0.40
TACR2 P21452 1/20 0.39
TACR1 P25103 1/20 0.39
F2 P00734 2/20 0.38

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
SCHEMBL3660828 0.90 RHOC (0.47) RHOCRHOADDR1NNMTF2
SCHEMBL977000 0.89 RHOC (0.41) RHOCRHOADDR1NNMTF2
SCHEMBL3429829 0.88 UTS2R (0.40) RHOCRHOADDR1NNMTF2
SCHEMBL3430317 0.88 DDR1 (0.38) RHOCRHOADDR1NNMTF2
SCHEMBL3408843 0.88 UTS2R (0.39) RHOCRHOADDR1NNMTF2
SCHEMBL3406266 0.88 UTS2R (0.39) RHOCRHOADDR1NNMTF2
SCHEMBL3408137 0.86 DDR1 (0.36) RHOCRHOADDR1NNMTF2
SCHEMBL3408675 0.86 DRD2 (0.40) F2
SCHEMBL976068 0.86 UTS2R (0.38) RHOCRHOADDR1NNMTF2
SCHEMBL977822 0.86 MEN1 (0.37) RHOCRHOA

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-20110053908-A1 AZETIDINE-DERIVED COMPOUNDS, PREPARATION METHOD THEREFOR AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2011-03-03 US claimed
EP-2254862-A2 AZETIDINE-DERIVED COMPOUNDS, PREPARATION METHOD THEREFOR AND THERAPEUTIC USE OF SAME Sanofi-Aventis (FR) 2010-12-01 EP claimed
WO-2009118473-A2 AZETIDINE-DERIVED COMPOUNDS, PREPARATION METHOD THEREFOR AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2009-10-01 WO claimed
US-20110053908-A1 AZETIDINE-DERIVED COMPOUNDS, PREPARATION METHOD THEREFOR AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2011-03-03 US disclosed
EP-2254862-A2 AZETIDINE-DERIVED COMPOUNDS, PREPARATION METHOD THEREFOR AND THERAPEUTIC USE OF SAME Sanofi-Aventis (FR) 2010-12-01 EP disclosed
WO-2009118473-A2 AZETIDINE-DERIVED COMPOUNDS, PREPARATION METHOD THEREFOR AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2009-10-01 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 (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-20110053908-A1 AZETIDINE-DERIVED COMPOUNDS, PREPARATION METHOD THEREFOR AND THERAPEUTIC USE OF SAME QDPR, NHERF1, GABRR1 RHOC 442/4885RHOA 75/4885DDR1 4094/4885

“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.