SCHEMBL312669

SCHEMBL312669

CN(C)S(=O)(=O)c1cccc(CBr)c1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.68
RAB9A P51151 4/20 0.68
TNF P01375 1/20 0.68
NOD1 Q9Y239 1/20 0.68
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 1/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
GAA P10253 1/20 0.49
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
RXFP1 Q9HBX9 2/20 0.46
MAPK1 P28482 2/20 0.45
LOX P28300 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL12487469 0.84 NPC1 (0.70) NPC1RAB9ATNFNOD1ALDH1A1
SCHEMBL19212541 0.82 RAB9A (0.68) NPC1RAB9ATNFNOD1ALDH1A1
SCHEMBL1263648 0.82 NPC1 (0.68) NPC1RAB9ATNFNOD1ALDH1A1
SCHEMBL2309823 0.82 NPC1 (0.68) NPC1RAB9ATNFNOD1ALDH1A1
SCHEMBL23536080 0.81 RAB9A (0.66) NPC1RAB9ATNFNOD1ALDH1A1
Hydrochloric Acid SCHEMBL5728514 0.81 NPC1 (0.66) NPC1RAB9ATNFNOD1ALDH1A1
SCHEMBL10273896 0.81 NPC1 (0.66) NPC1RAB9ATNFNOD1ALDH1A1
SCHEMBL7163455 0.80 RAB9A (0.63) NPC1RAB9ATNFNOD1ALDH1A1
SCHEMBL11207039 0.79 NPC1 (0.42) NPC1RAB9ATNFNOD1ALDH1A1
SCHEMBL533931 0.79 ALDH1A1 (0.46) NPC1RAB9ATNFNOD1ALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2289868-B1 CARBOXYLIC ACID COMPOUND DAIICHI SANKYO CO LTD (JP) 2014-08-13 EP disclosed
US-8222281-B2 Carboxylic acid compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-07-17 US disclosed
US-8093285-B2 Aminopiperidinyl derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2012-01-10 US disclosed
US-8093285-B2 Aminopiperidinyl derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2012-01-10 US disclosed
US-8093285-B2 Aminopiperidinyl derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2012-01-10 US disclosed
US-20110053974-A1 CARBOXYLIC ACID COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-03 US disclosed
EP-2289868-A1 CARBOXYLIC ACID COMPOUND Daiichi Sankyo Company, Limited (JP) 2011-03-02 EP disclosed
US-20090247568-A1 AMINOPIPERIDINYL DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC 2009-10-01 US disclosed
US-20090247568-A1 AMINOPIPERIDINYL DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC 2009-10-01 US disclosed
US-20090247568-A1 AMINOPIPERIDINYL DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC 2009-10-01 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 (2 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-20110053974-A1 CARBOXYLIC ACID COMPOUND AKR1C3, SLC5A1, GPR119 NPC1 436/4885RAB9A 1549/4885TNF 2951/4885
US-20090247568-A1 AMINOPIPERIDINYL DERIVATIVES AND USES THEREOF MAOB, ADORA2B, HTR1B NPC1 2989/4885RAB9A 200/4885TNF 3526/4885

“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.