SCHEMBL1916147

SCHEMBL1916147

Clc1ccccc1-c1csc(NCCCOCc2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 1/20 0.49
ATP4B P51164 1/20 0.49
PTPN2 P17706 1/20 0.49
PTPN1 P18031 1/20 0.49
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
STAT1 P42224 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GSTO1 P78417 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
RORC P51449 2/20 0.43
LMNA P02545 2/20 0.43
PLAU P00749 1/20 0.43
CYP1A1 P04798 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP1B1 Q16678 2/20 0.42

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
SCHEMBL1914499 0.93 ATP4A (0.51) ATP4AATP4BPTPN2PTPN1NPC1
SCHEMBL1916623 0.82 RORC (0.58) ATP4AATP4BNPC1RAB9AALDH1A1
SCHEMBL1915108 0.79 KDM4E (0.45) NPC1RAB9AALDH1A1MAPTSTAT1
SCHEMBL1915382 0.79 ALDH1A1 (0.58) ATP4AATP4BNPC1RAB9AALDH1A1
SCHEMBL1914539 0.78 ALDH1A1 (0.60) ATP4AATP4BPTPN2PTPN1NPC1
SCHEMBL12066366 0.76 NPC1 (0.52) ATP4AATP4BPTPN2PTPN1NPC1
SCHEMBL21350016 0.76 TYR (0.58) ATP4AATP4BPTPN2PTPN1NPC1
SCHEMBL1915273 0.73 LMNA (0.60) ATP4AATP4BPTPN2PTPN1NPC1
SCHEMBL38117 0.73 GSTO1 (0.58) ATP4AATP4BPTPN2PTPN1NPC1
SCHEMBL1916446 0.72 LMNA (0.54) ATP4AATP4BPTPN2PTPN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 US disclosed
EP-2364297-A1 Compounds, pharmaceutical composition and methods for use in treating metabolic disorders Euroscreen S.A. (BE) 2011-09-14 EP disclosed
WO-2011076734-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES EUROSCREEN S.A. (BE) 2011-06-30 WO disclosed
WO-2011076732-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING GASTROINTESTINAL DISORDERS EUROSCREEN S.A. (BE) 2011-06-30 WO disclosed
WO-2010066682-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2010-06-17 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-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS CPT1A, LIPC, PC ATP4A 1077/4885ATP4B 1031/4885PTPN2 3328/4885

“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.