SCHEMBL1551297

SCHEMBL1551297

CC(CNC(=O)c1cc(F)cc(N(C2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)S(C)(=O)=O)c1)n1cncn1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.38
F2 P00734 3/20 0.38
TP53 P04637 2/20 0.34
IDO1 P14902 1/20 0.32
DDR1 Q08345 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
P2RX7 Q99572 1/20 0.31

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
SCHEMBL1551019 0.89 F2 (0.36) F2TP53IDO1DDR1P2RX7
SCHEMBL3401787 0.87 F2 (0.39) F2TP53IDO1DDR1P2RX7
SCHEMBL3406126 0.85 F2 (0.38) F2TP53DDR1P2RX7
SCHEMBL1990364 0.84 F2 (0.38) F2TP53IDO1DDR1P2RX7
SCHEMBL3656663 0.83 F2 (0.37) F2TP53IDO1DDR1P2RX7
SCHEMBL1551683 0.83 CYP3A4 (0.42) F2TP53
SCHEMBL1551573 0.83 SMN1; SMN2 (0.43) F2
SCHEMBL3406663 0.83 DDR1 (0.38) F2TP53DDR1P2RX7
SCHEMBL3661828 0.83 F2 (0.37) F2TP53DDR1P2RX7
SCHEMBL1995651 0.83 F2 (0.36) F2TP53IDO1P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152236-A1 AZETIDINE POLYSUBSTITUTED COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2011-06-23 US claimed
US-20110152236-A1 AZETIDINE POLYSUBSTITUTED COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2011-06-23 US disclosed
EP-2313393-A1 AZETIDINE POLYSUBSTITUTED COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF Sanofi-Aventis (FR) 2011-04-27 EP disclosed
WO-2010018328-A1 AZETIDINE POLYSUBSTITUTED COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2010-02-18 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-20110152236-A1 AZETIDINE POLYSUBSTITUTED COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF C1R, TACR1, C1S CYP19A1 1045/4885F2 1930/4885TP53 2632/4885

“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.