SCHEMBL1551358

SCHEMBL1551358

CS(=O)(=O)N(c1cccc(C(=O)NC2CCS(O)(O)C2)c1)C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 3/20 0.37
BACE1 P56817 3/20 0.37
BACE2 Q9Y5Z0 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GFER P55789 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.35
USP30 Q70CQ3 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GRM5 P41594 2/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CCR2 P41597 1/20 0.33

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
SCHEMBL2166240 0.95 NPC1 (0.40) CTSDBACE1BACE2NPC1RAB9A
SCHEMBL1551359 0.92 ALDH1A1 (0.45) HSD17B10USP2ALOX15TSHRALDH1A1
SCHEMBL2166243 0.90 NPC1 (0.40) CTSDBACE1BACE2NPC1RAB9A
SCHEMBL2166581 0.86 NPC1 (0.40) CTSDBACE1BACE2NPC1RAB9A
SCHEMBL3403687 0.86 CTSD (0.38) CTSDBACE1BACE2NPC1RAB9A
SCHEMBL3408675 0.83 DRD2 (0.40) CTSDBACE1BACE2KDM4ESMN1; SMN2
SCHEMBL977045 0.82 CACNA2D1 (0.41) CTSDBACE1BACE2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL6519318 0.82 DRD2 (0.39) KDM4ESMN1; SMN2HSD17B10L3MBTL1MEN1
SCHEMBL3236216 0.82 CTSD (0.36) CTSDBACE1BACE2NPC1RAB9A
SCHEMBL3406225 0.82 SCN9A (0.41) KDM4ESMN1; SMN2ALDH1A1L3MBTL1MEN1

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-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
EP-2313392-A1 AZETIDINE POLYSUBSTITUTED COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF Sanofi-Aventis (FR) 2011-04-27 EP disclosed
WO-2010018329-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-20110183961-A1 AZETIDINE POLYSUBSTITUTED COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF C1R, C1S, TACR1 CTSD 1506/4885BACE1 2778/4885BACE2 3707/4885

“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.