SCHEMBL6031246

SCHEMBL6031246

CCCCCCCCNC(=O)Nc1sc(C(=O)NCC(C)C)c(C)c1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.44
ALDH1A1 P00352 11/20 0.38
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 6/20 0.38
TSHR P16473 2/20 0.38
MAPT P10636 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
EPHX2 P34913 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 2/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 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
SCHEMBL6029757 0.92 ALDH1A1 (0.43) EPHX1ALDH1A1NPSR1LMNAHPGD
SCHEMBL6029710 0.92 ALDH1A1 (0.43) EPHX1ALDH1A1NPSR1LMNAHPGD
SCHEMBL6031178 0.92 ALDH1A1 (0.43) EPHX1ALDH1A1NPSR1LMNAHPGD
SCHEMBL6030054 0.92 ALDH1A1 (0.43) EPHX1ALDH1A1NPSR1LMNAHPGD
SCHEMBL6029669 0.92 ALDH1A1 (0.43) EPHX1ALDH1A1NPSR1LMNAHPGD
SCHEMBL6030273 0.88 ALDH1A1 (0.39) EPHX1ALDH1A1NPSR1HPGDTSHR
SCHEMBL6030212 0.87 ALDH1A1 (0.41) ALDH1A1NPSR1HPGDTSHRMAPT
SCHEMBL6029969 0.87 ALDH1A1 (0.41) ALDH1A1NPSR1LMNAHPGDTSHR
SCHEMBL6030949 0.87 ALDH1A1 (0.43) EPHX1ALDH1A1NPSR1LMNAHPGD
SCHEMBL6030463 0.86 EPHX1 (0.50) EPHX1ALDH1A1MAPTSMN1; SMN2EPHX2

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 1832/4885NPSR1 393/4885

“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.