Sugi Predict

Sugi Predict / Compounds / SCHEMBL6029958

SCHEMBL6029958

SCHEMBL6029958

CCCCCCCCCCCC(=O)Nc1sc(CCCCCCC)cc1C(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.58
▸ HSD17B10 Q99714 4/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ HPGD P15428 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ ALOX15 P16050 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ CNR2 P34972 3/20 0.40
▸ CNR1 P21554 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ REV1 Q9UBZ9 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ TDP1 Q9NUW8 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
SCHEMBL6031127 0.84 HSD17B10 (0.55) RXFP1HSD17B10CYP1A2CYP2C9ALDH1A1
SCHEMBL6030766 0.84 HSD17B10 (0.44) RXFP1HSD17B10ALDH1A1KDM4EALOX15
SCHEMBL6031371 0.84 HSD17B10 (0.55) RXFP1HSD17B10CYP1A2CYP2C9ALDH1A1
SCHEMBL6030817 0.84 HSD17B10 (0.55) RXFP1HSD17B10CYP1A2CYP2C9ALDH1A1
SCHEMBL6031818 0.84 HSD17B10 (0.55) RXFP1HSD17B10CYP1A2CYP2C9ALDH1A1
SCHEMBL6029945 0.84 HSD17B10 (0.55) RXFP1HSD17B10CYP1A2CYP2C9ALDH1A1
SCHEMBL6030807 0.84 HSD17B10 (0.55) RXFP1HSD17B10CYP1A2CYP2C9ALDH1A1
SCHEMBL6031092 0.83 RXFP1 (0.59) RXFP1HSD17B10CYP1A2CYP2C9ALDH1A1
SCHEMBL6029706 0.82 HSD17B10 (0.56) RXFP1HSD17B10CYP1A2CYP2C9ALDH1A1
SCHEMBL6030533 0.82 HSD17B10 (0.44) RXFP1HSD17B10ALDH1A1KDM4EALOX15

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 RXFP1 612/4885HSD17B10 126/4885CYP1A2 2435/4885

“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.