SCHEMBL2026477

SCHEMBL2026477

C[C@@H](O)CNc1nc(-c2ccccc2Cl)cs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTO1 P78417 1/20 0.52
RORC P51449 2/20 0.50
ATP4A P20648 3/20 0.49
ATP4B P51164 3/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 3/20 0.47
THRB P10828 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP1A1 P04798 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP1B1 Q16678 2/20 0.47
DHODH Q02127 4/20 0.47
KDM1A O60341 1/20 0.46
PTGS2 P35354 1/20 0.45
CYP19A1 P11511 1/20 0.44
MEN1 O00255 1/20 0.43

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
SCHEMBL2398242 1.00 GSTO1 (0.52) GSTO1RORCATP4AATP4BNPC1
SCHEMBL1915160 1.00 GSTO1 (0.52) GSTO1RORCATP4AATP4BNPC1
SCHEMBL1915273 0.82 LMNA (0.60) GSTO1RORCATP4AATP4BNPC1
SCHEMBL21350016 0.80 TYR (0.58) GSTO1RORCATP4AATP4BNPC1
SCHEMBL24590309 0.79 TYR (0.56) GSTO1RORCATP4AATP4BNPC1
SCHEMBL1916379 0.77 NPC1 (0.58) GSTO1RORCATP4AATP4BNPC1
SCHEMBL46369 0.77 GSTO1 (0.56) GSTO1RORCATP4AATP4BNPC1
SCHEMBL1915382 0.77 ALDH1A1 (0.58) GSTO1RORCATP4AATP4BNPC1
SCHEMBL12066366 0.77 NPC1 (0.52) GSTO1RORCATP4AATP4BNPC1
SCHEMBL1914539 0.76 ALDH1A1 (0.60) GSTO1ATP4AATP4BNPC1RAB9A

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-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-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 GSTO1 1187/4885RORC 792/4885ATP4A 1077/4885

“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.