SCHEMBL1916359

SCHEMBL1916359

CC(=O)c1sc(NC(=O)C2CCCCC2C(=O)O)nc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
RXFP1 Q9HBX9 4/20 0.52
CYP1A2 P05177 1/20 0.52
GAA P10253 1/20 0.52
CYP2C9 P11712 1/20 0.52
SMN1; SMN2 Q16637 8/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
POLB P06746 1/20 0.51
LMNA P02545 2/20 0.50
HTT P42858 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPK1 P28482 1/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
TP53 P04637 1/20 0.47

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
SCHEMBL1915130 0.87 ALDH1A1 (0.61) ALDH1A1RXFP1SMN1; SMN2KMT2AMEN1
SCHEMBL2398266 0.85 SMN1; SMN2 (0.67) ALDH1A1RXFP1GAASMN1; SMN2KMT2A
SCHEMBL1915836 0.84 ALDH1A1 (0.51) ALDH1A1RXFP1SMN1; SMN2KMT2AMEN1
SCHEMBL1915823 0.84 ALDH1A1 (0.73) ALDH1A1RXFP1GAASMN1; SMN2KMT2A
SCHEMBL2423161 0.83 ALDH1A1 (0.72) ALDH1A1RXFP1CYP1A2GAACYP2C9
SCHEMBL1915833 0.82 HTT (0.51) ALDH1A1RXFP1GAASMN1; SMN2KMT2A
SCHEMBL4473418 0.77 RXFP1 (0.70) ALDH1A1RXFP1CYP1A2GAACYP2C9
SCHEMBL2398236 0.75 ALDH1A1 (0.55) ALDH1A1RXFP1GAASMN1; SMN2KMT2A
SCHEMBL4202353 0.74 RAB9A (0.68) ALDH1A1SMN1; SMN2KMT2AMEN1TDP1
SCHEMBL1914694 0.74 MEN1 (0.66) ALDH1A1RXFP1GAASMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364297-A1 Compounds, pharmaceutical composition and methods for use in treating metabolic disorders Euroscreen S.A. (BE) 2011-09-14 EP claimed
WO-2010066682-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2010-06-17 WO claimed
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 ALDH1A1 623/4885RXFP1 1515/4885CYP1A2 180/4885

“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.