SCHEMBL2166243

SCHEMBL2166243

CS(=O)(=O)N(c1cccc(C(=O)NC2CCS(=O)(=O)CC2)c1)C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GFER P55789 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CTSD P07339 3/20 0.40
BACE1 P56817 3/20 0.40
BACE2 Q9Y5Z0 3/20 0.40
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
KDM1A O60341 2/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 1/20 0.36
USP30 Q70CQ3 1/20 0.36
GRM5 P41594 2/20 0.35
ADRB2 P07550 1/20 0.35

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
SCHEMBL1551359 0.95 ALDH1A1 (0.45) HSD17B10ALDH1A1USP2ALOX15TSHR
SCHEMBL2166240 0.93 NPC1 (0.40) NPC1RAB9AKDM4EGFERSMN1; SMN2
SCHEMBL1551358 0.90 CTSD (0.37) NPC1RAB9AKDM4EGFERSMN1; SMN2
SCHEMBL2166581 0.89 NPC1 (0.40) NPC1RAB9AKDM4EGFERSMN1; SMN2
SCHEMBL3403687 0.87 CTSD (0.38) NPC1RAB9AKDM4EGFERSMN1; SMN2
SCHEMBL977045 0.84 CACNA2D1 (0.41) KDM4ECTSDBACE1BACE2ALDH1A1
SCHEMBL3236216 0.83 CTSD (0.36) NPC1RAB9AKDM4EGFERSMN1; SMN2
SCHEMBL1993289 0.83 MAPT (0.39) NPC1RAB9AKDM4EALDH1A1TSHR
SCHEMBL3408675 0.83 DRD2 (0.40) KDM4ESMN1; SMN2HSD17B10CTSDBACE1
SCHEMBL2168143 0.82 USP30 (0.49) CTSDBACE1BACE2USP30

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-20110183961-A1 AZETIDINE POLYSUBSTITUTED COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2011-07-28 US claimed
US-20110183961-A1 AZETIDINE POLYSUBSTITUTED COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2011-07-28 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-20110183961-A1 AZETIDINE POLYSUBSTITUTED COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF C1R, C1S, TACR1 NPC1 180/4885RAB9A 566/4885KDM4E 2203/4885

“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.