SCHEMBL6031357

SCHEMBL6031357

CCCCCCCCNC(=O)Nc1sc(C(=O)NCCCN(C)C)c(C)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
EPHX1 P07099 11/20 0.40
ALDH1A1 P00352 3/20 0.40
HTT P42858 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
EPHX2 P34913 1/20 0.37
NAAA Q02083 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL6030269 0.92 EPHX1 (0.46) EPHX1ALDH1A1HTTMAPTHPGD
SCHEMBL6030406 0.92 EPHX1 (0.46) EPHX1ALDH1A1HTTMAPTHPGD
SCHEMBL6030772 0.92 EPHX1 (0.46) EPHX1ALDH1A1HTTMAPTHPGD
SCHEMBL6030371 0.92 EPHX1 (0.46) EPHX1ALDH1A1HTTMAPTHPGD
SCHEMBL6030355 0.87 ALDH1A1 (0.48) EPHX1ALDH1A1HTTCYP1A2MAPT
SCHEMBL6031588 0.86 ALDH1A1 (0.40) DNM1THRATHRBALDH1A1CYP1A2
SCHEMBL6030199 0.86 EPHX1 (0.41) EPHX1ALDH1A1HTTCYP1A2MAPT
SCHEMBL6030430 0.86 EPHX1 (0.41) EPHX1ALDH1A1HTTMAPTHPGD
SCHEMBL6030458 0.85 EPHX1 (0.48) EPHX1ALDH1A1HTTMAPTHPGD
SCHEMBL6030463 0.84 EPHX1 (0.50) EPHX1ALDH1A1HTTMAPTEPHX2

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 DNM1 4616/4885THRA 742/4885THRB 437/4885

“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.