SCHEMBL6030355

SCHEMBL6030355

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPK1 P28482 1/20 0.47
MAPT P10636 3/20 0.45
EPHX1 P07099 9/20 0.43
HTT P42858 1/20 0.43
HPGD P15428 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
KDM4E B2RXH2 2/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EPHX2 P34913 1/20 0.39

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 0.89 EPHX1 (0.46) ALDH1A1MAPTEPHX1HTTHPGD
SCHEMBL6030406 0.89 EPHX1 (0.46) ALDH1A1MAPTEPHX1HTTHPGD
SCHEMBL6030772 0.89 EPHX1 (0.46) ALDH1A1MAPTEPHX1HTTHPGD
SCHEMBL6030371 0.89 EPHX1 (0.46) ALDH1A1MAPTEPHX1HTTHPGD
SCHEMBL6030458 0.89 EPHX1 (0.48) ALDH1A1MAPTEPHX1HTTHPGD
SCHEMBL6031357 0.87 DNM1 (0.41) ALDH1A1CYP1A2MAPTEPHX1HTT
SCHEMBL6030205 0.86 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19MAPK1
SCHEMBL6030506 0.85 ALDH1A1 (0.51) ALDH1A1CYP1A2CYP2C9CYP2C19MAPK1
SCHEMBL6030199 0.83 EPHX1 (0.41) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL6030430 0.83 EPHX1 (0.41) ALDH1A1MAPTEPHX1HTTHPGD

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 1832/4885CYP1A2 2435/4885CYP2C9 1916/4885

“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.