SCHEMBL1995651

SCHEMBL1995651

CC(CNC(=O)c1cc(F)cc(N(C2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)S(C)(=O)=O)c1)c1cnccn1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.36
IDO1 P14902 1/20 0.34
TP53 P04637 1/20 0.33
CYP3A4 P08684 2/20 0.33
CYP3A5 P20815 2/20 0.33
P2RX7 Q99572 2/20 0.33
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CTSS P25774 1/20 0.32
GRIA2 P42262 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
SCHEMBL1551683 0.89 CYP3A4 (0.42) F2TP53CYP3A4CYP3A5HTT
SCHEMBL3401787 0.86 F2 (0.39) F2IDO1TP53P2RX7SMN1; SMN2
SCHEMBL1990364 0.84 F2 (0.38) F2IDO1TP53P2RX7SMN1; SMN2
SCHEMBL1551280 0.84 LMNA (0.46) HTTSMN1; SMN2NPSR1
SCHEMBL1551573 0.83 SMN1; SMN2 (0.43) F2CYP3A4HTTSMN1; SMN2
SCHEMBL3265259 0.83 IDO1 (0.36) IDO1TP53CYP3A4CYP3A5P2RX7
SCHEMBL3406126 0.83 F2 (0.38) F2TP53P2RX7GRIA2
SCHEMBL1551297 0.83 CYP19A1 (0.38) F2IDO1TP53P2RX7
SCHEMBL3656663 0.82 F2 (0.37) F2IDO1TP53P2RX7SMN1; SMN2
SCHEMBL1551019 0.82 F2 (0.36) F2IDO1TP53P2RX7GRIA2

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 2 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

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 F2 1930/4885IDO1 559/4885TP53 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.