SCHEMBL2398397

SCHEMBL2398397

Cc1sc(NC(=O)C2CCCCC2C(=O)O)nc1-c1ccc(C(C)(C)C)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
CYP2C9 P11712 3/20 0.60
NPSR1 Q6W5P4 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
FPR1 P21462 1/20 0.60
CRHBP P24387 1/20 0.60
CRHR2 Q13324 1/20 0.60
HTT P42858 2/20 0.58
MAPT P10636 3/20 0.46
GAA P10253 3/20 0.46
KDM4E B2RXH2 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX5 P09917 1/20 0.46
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
GSTO1 P78417 1/20 0.44

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
SCHEMBL1915756 0.89 ALDH1A1 (0.62) ALDH1A1CYP2C9HTTMAPTGAA
SCHEMBL1916165 0.88 ALDH1A1 (0.60) ALDH1A1CYP2C9NPSR1SMN1; SMN2HTT
SCHEMBL2396585 0.87 ALDH1A1 (0.58) ALDH1A1CYP2C9NPSR1SMN1; SMN2FPR1
SCHEMBL1914959 0.87 ALDH1A1 (0.60) ALDH1A1CYP2C9NPSR1SMN1; SMN2FPR1
SCHEMBL2398520 0.87 ALDH1A1 (0.76) ALDH1A1CYP2C9SMN1; SMN2HTTMAPT
SCHEMBL2398728 0.85 ALDH1A1 (0.58) ALDH1A1NPSR1SMN1; SMN2HTTMAPT
SCHEMBL2399219 0.85 ALDH1A1 (0.58) ALDH1A1CYP2C9NPSR1SMN1; SMN2FPR1
SCHEMBL1915602 0.85 ALDH1A1 (0.60) ALDH1A1CYP2C9NPSR1SMN1; SMN2FPR1
SCHEMBL2417767 0.83 MAPT (0.60) ALDH1A1CYP2C9NPSR1SMN1; SMN2FPR1
SCHEMBL1915286 0.82 MAPT (0.68) ALDH1A1CYP2C9NPSR1SMN1; SMN2FPR1

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
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-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 ALDH1A1 623/4885CYP2C9 234/4885NPSR1 1183/4885

“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.