Sugi Predict

Sugi Predict / Compounds / SCHEMBL6030874

SCHEMBL6030874

SCHEMBL6030874

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 16/20 0.48
▸ HPGD P15428 10/20 0.48
▸ NPSR1 Q6W5P4 5/20 0.48
▸ MAPT P10636 5/20 0.48
▸ APOBEC3G Q9HC16 1/20 0.48
▸ LMNA P02545 2/20 0.44
▸ TSHR P16473 4/20 0.43
▸ HSD17B10 Q99714 4/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ DUSP3 P51452 1/20 0.43
▸ PTPN5 P54829 1/20 0.43
▸ PTPN11 Q06124 1/20 0.43
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38

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
SCHEMBL6029939 1.00 ALDH1A1 (0.48) ALDH1A1HPGDNPSR1MAPTAPOBEC3G
SCHEMBL6030470 0.98 ALDH1A1 (0.48) ALDH1A1HPGDNPSR1MAPTAPOBEC3G
SCHEMBL6030506 0.90 ALDH1A1 (0.51) ALDH1A1HPGDNPSR1MAPTAPOBEC3G
SCHEMBL6029710 0.89 ALDH1A1 (0.43) ALDH1A1HPGDNPSR1MAPTAPOBEC3G
SCHEMBL6031178 0.89 ALDH1A1 (0.43) ALDH1A1HPGDNPSR1MAPTAPOBEC3G
SCHEMBL6029669 0.89 ALDH1A1 (0.43) ALDH1A1HPGDNPSR1MAPTAPOBEC3G
SCHEMBL6030054 0.89 ALDH1A1 (0.43) ALDH1A1HPGDNPSR1MAPTAPOBEC3G
SCHEMBL6029757 0.89 ALDH1A1 (0.43) ALDH1A1HPGDNPSR1MAPTAPOBEC3G
SCHEMBL6031046 0.87 ALDH1A1 (0.42) ALDH1A1HPGDNPSR1MAPTAPOBEC3G
SCHEMBL6030770 0.87 ALDH1A1 (0.42) ALDH1A1HPGDNPSR1MAPTAPOBEC3G

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 1832/4885HPGD 4273/4885NPSR1 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.