SCHEMBL6031386

SCHEMBL6031386

CCCCCCCCNC(=O)Nc1sc(C(=O)NC(CCCC)CCCC)c(C)c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 14/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
PLA2G2C Q5R387 1/20 0.38
EPHX2 P34913 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
DPP7 Q9UHL4 1/20 0.35

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
SCHEMBL6030772 0.88 EPHX1 (0.46) EPHX1ALDH1A1HTTEPHX2
SCHEMBL6030406 0.88 EPHX1 (0.46) EPHX1ALDH1A1HTTEPHX2
SCHEMBL6030371 0.88 EPHX1 (0.46) EPHX1ALDH1A1HTTEPHX2
SCHEMBL6030269 0.88 EPHX1 (0.46) EPHX1ALDH1A1HTTEPHX2
SCHEMBL6029432 0.86 ALDH1A1 (0.37) EPHX1ALDH1A1HTTEPHX2SMN1; SMN2
SCHEMBL6030458 0.85 EPHX1 (0.48) EPHX1ALDH1A1HTTEPHX2
SCHEMBL6030463 0.84 EPHX1 (0.50) EPHX1ALDH1A1HTTEPHX2SMN1; SMN2
SCHEMBL6031069 0.82 ALDH1A1 (0.40) EPHX1ALDH1A1HTTEPHX2
SCHEMBL6030258 0.82 EPHX1 (0.41) EPHX1ALDH1A1HTTEPHX2
SCHEMBL6030199 0.82 EPHX1 (0.41) EPHX1ALDH1A1HTTEPHX2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7064122-B2 Pancreatic lipase inhibitor compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2006-06-20 US disclosed
EP-1467978-A4 PANCREATIC LIPASE INHIBITOR COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARM INC (US) 2005-11-02 EP disclosed
EP-1467978-A1 PANCREATIC LIPASE INHIBITOR COMPOUNDS, THEIR SYNTHESIS AND USE OSI Pharmaceuticals, Inc. (US) 2004-10-20 EP disclosed
US-20030195199-A1 Pancreatic lipase inhibitor compounds, their synthesis and use OSI PHARMACEUTICALS, INC. 2003-10-16 US disclosed
WO-2003053944-A1 PANCREATIC LIPASE INHIBITOR COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARMACEUTICALS, INC. (US) 2003-07-03 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-20030195199-A1 Pancreatic lipase inhibitor compounds, their synthesis and use PNLIP, LIPC, CEL EPHX1 938/4885ALDH1A1 1832/4885HTT 2554/4885

“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.