SCHEMBL2398520

SCHEMBL2398520

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

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.76
HTT P42858 2/20 0.76
PKM P14618 1/20 0.60
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.48
MAPT P10636 3/20 0.48
GAA P10253 2/20 0.48
KDM4E B2RXH2 2/20 0.48
GLA P06280 1/20 0.47
ALOX5 P09917 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CFTR P13569 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 2/20 0.46
LMNA P02545 1/20 0.46
NPC1 O15118 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46

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 0.91 ALDH1A1 (0.62) ALDH1A1HTTPKMKMT2AMEN1
SCHEMBL1916165 0.90 ALDH1A1 (0.60) ALDH1A1HTTPKMKMT2AMEN1
SCHEMBL1914959 0.89 ALDH1A1 (0.60) ALDH1A1HTTKMT2AMEN1MAPT
SCHEMBL2398397 0.87 ALDH1A1 (0.60) ALDH1A1HTTPKMKMT2AMEN1
SCHEMBL2398728 0.87 ALDH1A1 (0.58) ALDH1A1HTTPKMKMT2AMEN1
SCHEMBL1915602 0.87 ALDH1A1 (0.60) ALDH1A1HTTPKMKMT2AMEN1
SCHEMBL2399219 0.87 ALDH1A1 (0.58) ALDH1A1HTTKMT2AMEN1MAPT
SCHEMBL2398140 0.86 ALDH1A1 (0.76) ALDH1A1HTTPKMKMT2AMEN1
SCHEMBL2417767 0.85 MAPT (0.60) ALDH1A1HTTMAPTGAAKDM4E
SCHEMBL1915286 0.84 MAPT (0.68) ALDH1A1HTTPKMKMT2AMEN1

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 623/4885HTT 1481/4885PKM 113/4885

“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.