SCHEMBL1917022

SCHEMBL1917022

CCOC(=O)c1sc(NC(=O)C2CC=CCC2C(=O)O)nc1-c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.74
KMT2A Q03164 3/20 0.74
ALDH1A1 P00352 3/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
POLB P06746 1/20 0.74
TDP1 Q9NUW8 1/20 0.74
CYP1A2 P05177 1/20 0.68
CYP2C9 P11712 1/20 0.68
CYP2C19 P33261 1/20 0.68
GSTO1 P78417 1/20 0.63
DHODH Q02127 14/20 0.62
NPSR1 Q6W5P4 2/20 0.59
KDM4E B2RXH2 1/20 0.59
ADORA2A P29274 1/20 0.59
ADORA1 P30542 1/20 0.59
PPARG P37231 1/20 0.59
NCOA2 Q15596 1/20 0.59
NCOA1 Q15788 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
HSD17B10 Q99714 1/20 0.55

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
SCHEMBL1915268 0.88 MEN1 (0.68) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL1915738 0.83 ALDH1A1 (0.62) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL1915349 0.82 ALDH1A1 (0.60) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL1915242 0.81 POLB (0.55) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL15064976 0.81 MEN1 (1.00) MEN1KMT2AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL3580925 0.79 KMT2A (0.78) MEN1KMT2AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL28721843 0.79 DHODH (0.77) MEN1KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL7933989 0.78 MEN1 (0.77) MEN1KMT2AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL2396558 0.78 ALDH1A1 (0.60) MEN1KMT2AALDH1A1SMN1; SMN2POLB
Bromide SCHEMBL7142168 0.78 MEN1 (0.75) MEN1KMT2AALDH1A1SMN1; SMN2CYP1A2

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 8 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 claimed
EP-2364297-A1 Compounds, pharmaceutical composition and methods for use in treating metabolic disorders Euroscreen S.A. (BE) 2011-09-14 EP claimed
WO-2011076734-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES EUROSCREEN S.A. (BE) 2011-06-30 WO claimed
WO-2011076732-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING GASTROINTESTINAL DISORDERS EUROSCREEN S.A. (BE) 2011-06-30 WO 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-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 MEN1 1084/4885KMT2A 3648/4885ALDH1A1 623/4885

“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.