SCHEMBL1551683

SCHEMBL1551683

CC(CNC(=O)c1cc(F)cc(N(C2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)S(C)(=O)=O)c1)c1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.42
CYP3A5 P20815 5/20 0.42
SMN1; SMN2 Q16637 5/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 4/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 2/20 0.38
EPHX2 P34913 1/20 0.38
F2 P00734 2/20 0.38
TP53 P04637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.36
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL1995651 0.89 F2 (0.36) CYP3A4CYP3A5SMN1; SMN2NPSR1HTT
SCHEMBL1988739 0.89 CYP3A4 (0.45) CYP3A4CYP3A5SMN1; SMN2NPSR1HTT
SCHEMBL1551280 0.89 LMNA (0.46) SMN1; SMN2NPSR1HTTLMNATSHR
SCHEMBL3401787 0.86 F2 (0.39) SMN1; SMN2LMNAF2TP53MEN1
SCHEMBL1551016 0.86 MEN1 (0.47) CYP3A4CYP3A5SMN1; SMN2LMNAMEN1
SCHEMBL1990364 0.85 F2 (0.38) SMN1; SMN2LMNAF2TP53KMT2A
SCHEMBL2905664 0.84 CYP3A4 (0.54) CYP3A4CYP3A5
SCHEMBL2906358 0.84 CYP3A4 (0.54) CYP3A4CYP3A5
SCHEMBL2905660 0.84 CYP3A4 (0.54) CYP3A4CYP3A5
SCHEMBL1551573 0.84 SMN1; SMN2 (0.43) CYP3A4SMN1; SMN2HTTLMNAF2

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 CYP3A4 846/4885CYP3A5 517/4885SMN1; SMN2 2797/4885

“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.