SCHEMBL1915546

SCHEMBL1915546

COc1ccc(-c2ccccc2-c2csc(NCCOCc3ccccc3)n2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 2/20 0.43
RAB9A P51151 7/20 0.41
NPC1 O15118 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
POLB P06746 1/20 0.41
GAA P10253 3/20 0.41
KDM4E B2RXH2 3/20 0.40
HTT P42858 2/20 0.40
CYP19A1 P11511 2/20 0.40
ALDH1A1 P00352 6/20 0.40
MAPT P10636 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ATP4A P20648 1/20 0.39
ATP4B P51164 1/20 0.39
NPY5R Q15761 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL1915039 0.79 AR (0.48) FFAR2RAB9ANPC1MEN1KMT2A
SCHEMBL38521 0.79 MAPT (0.53) FFAR2RAB9ANPC1MEN1KMT2A
SCHEMBL1915320 0.79 AR (0.43) FFAR2RAB9ANPC1MEN1KMT2A
SCHEMBL1914499 0.77 ATP4A (0.51) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL1915108 0.77 KDM4E (0.45) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL1915656 0.74 FFAR2 (0.48) FFAR2RAB9ANPC1CYP19A1MAPT
SCHEMBL38678 0.73 CYP19A1 (0.50) FFAR2RAB9ANPC1MEN1KMT2A
SCHEMBL1915663 0.72 AR (0.43) FFAR2RAB9ANPC1MEN1KMT2A
SCHEMBL1916623 0.72 RORC (0.58) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL1916147 0.71 ATP4A (0.49) RAB9ANPC1MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102245574-A Compounds, pharmaceutical compositions and methods for treating metabolic disorders EUROSCREEN SA 2011-11-16 CN disclosed
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 FFAR2 295/4885RAB9A 1681/4885NPC1 28/4885

“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.