SCHEMBL6031389

SCHEMBL6031389

CCCCCCCCNC(=O)Nc1sc(C(=O)NCc2ccccn2)c(C)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TSHR P16473 1/20 0.46
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HTT P42858 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
EPHX1 P07099 3/20 0.45
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 2/20 0.43
ALOX12 P18054 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL6030985 0.88 ALDH1A1 (0.49) ALDH1A1POLBMAPTTDP1TSHR
SCHEMBL6031388 0.88 EPHX1 (0.49) ALDH1A1HPGDHTTEPHX1
SCHEMBL6030206 0.85 NAMPT (0.48) ALDH1A1POLBMAPTTSHRHPGD
SCHEMBL6029600 0.84 HTT (0.41) ALDH1A1POLBMAPTTDP1TSHR
SCHEMBL6030269 0.84 EPHX1 (0.46) ALDH1A1MAPTTSHRHPGDHTT
SCHEMBL6030406 0.84 EPHX1 (0.46) ALDH1A1MAPTTSHRHPGDHTT
SCHEMBL6030371 0.84 EPHX1 (0.46) ALDH1A1MAPTTSHRHPGDHTT
SCHEMBL6030772 0.84 EPHX1 (0.46) ALDH1A1MAPTTSHRHPGDHTT
SCHEMBL6030294 0.84 FLT4 (0.52) ALDH1A1POLBTDP1HPGDHSD17B10
SCHEMBL6030764 0.83 EPHX1 (0.46) ALDH1A1POLBTSHRHTTEPHX1

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 ALDH1A1 1832/4885POLB 2788/4885MAPT 4105/4885

“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.