SCHEMBL1991864

SCHEMBL1991864

Cc1nc(C(C)NC(=O)c2cc(F)cc(N(C3CN(C(c4ccc(Cl)cc4)c4ccc(Cl)cc4)C3)S(C)(=O)=O)c2)cs1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
DDR2 Q16832 1/20 0.32
BACE1 P56817 11/20 0.32
BACE2 Q9Y5Z0 2/20 0.32
IDO1 P14902 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
SCHEMBL1989938 0.87 RHOC (0.41) F2NPC1RAB9A
SCHEMBL1551036 0.85 CNR1 (0.38) BACE1BACE2
SCHEMBL1989761 0.85 BACE1 (0.38) BACE1BACE2IDO1
SCHEMBL1987375 0.84 GRM5 (0.47) NPC1RAB9A
SCHEMBL977151 0.83 ERAP1 (0.37) F2BACE1BACE2
SCHEMBL1988810 0.83 CLK1 (0.37) NPC1RAB9ABACE1BACE2
SCHEMBL1988739 0.82 CYP3A4 (0.45) BACE1BACE2
SCHEMBL974838 0.82 F2 (0.34) F2BACE1BACE2IDO1
SCHEMBL974739 0.82 F2 (0.34) F2BACE1BACE2IDO1
SCHEMBL3401743 0.82 BACE1 (0.37) F2BACE1BACE2

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 1930/4885NPC1 153/4885RAB9A 468/4885

“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.