SCHEMBL1698394

SCHEMBL1698394

NC(=O)C(O)C1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.62
TP53 P04637 1/20 0.44
KDM4E B2RXH2 1/20 0.43
GMNN O75496 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.41
DPP4 P27487 5/20 0.38

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
SCHEMBL19532631 1.00 EPHX1 (0.62) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL1715476 0.97 EPHX1 (0.58) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL5485166 0.92
SCHEMBL2465665 0.87
SCHEMBL22081717 0.78 EPHX1 (0.38) EPHX1DPP4
SCHEMBL22081716 0.78 EPHX1 (0.38) EPHX1DPP4
SCHEMBL22081098 0.78 EPHX1 (0.38) EPHX1DPP4
SCHEMBL22081715 0.78 EPHX1 (0.38) EPHX1DPP4
SCHEMBL67018 0.77 EPHX1 (0.46) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL5686769 0.77 EPHX1 (0.46) EPHX1TP53KDM4EGMNNLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1299377-A2 SPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 2003-04-09 EP claimed
WO-2002000641-A2 SPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 2002-01-03 WO claimed
EP-3019196-B1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-06 EP disclosed
EP-2802326-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-04-18 EP disclosed
US-9745304-B2 Amidoimidazopyridazines as MKNK-1 kinase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-08-29 US disclosed
US-20150376189-A1 AMIDOIMIDAZOPYRIDAZINES AS MKNK-1 KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-12-31 US disclosed
EP-2951181-A1 AMIDOIMIDAZOPYRIDAZINES AS MKNK-1 KINASE INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2015-12-09 EP disclosed
WO-2014118135-A1 AMIDOIMIDAZOPYRIDAZINES AS MKNK-1 KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-08-07 WO disclosed
EP-2582705-A1 ANELLATED PYRIDINE COMPOUNDS AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS F.HOFFMANN-LA ROCHE AG (CH) 2013-04-24 EP disclosed
WO-2011161009-A1 ANELLATED PYRIDINE COMPOUNDS AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-29 WO disclosed
US-6743794-B2 MULTIDRUG RESISTANCE PROTEIN; CANCER; 3-(9-CHLORO-3-METHYL-4-OXO-5H-ISOXAZOLO(4,3-C)QUINOLIN-5-YL)) CYCLOHEXYL)-2-PIPERIDYLACETAMIDE ELI LILLY AND COMPANY 2004-06-01 US disclosed
US-6207852-B1 THERAPY FOR INCONTINENCE; CROHN'S DISEASE; MUSCLE RELAXANTS BRIDGE PHARMA, INC. 2001-03-27 US 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-20150376189-A1 AMIDOIMIDAZOPYRIDAZINES AS MKNK-1 KINASE INHIBITORS MKNK1, MAP4K5, MAP3K1 EPHX1 2339/4885TP53 1870/4885KDM4E 1255/4885

“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.