SCHEMBL6029892

SCHEMBL6029892

CCCCCCCCNC(=O)Nc1sc(C(=O)NCc2ccc3c(c2)CCO3)c(C)c1C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.48
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 2/20 0.40
RYR2 Q92736 1/20 0.36
ALDH1A1 P00352 5/20 0.36
HPGD P15428 3/20 0.36
TRPV1 Q8NER1 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
CISD2 Q8N5K1 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
AURKA O14965 1/20 0.32
RPS6KB1 P23443 1/20 0.32

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
SCHEMBL6030097 0.89 TRPV1 (0.48) POLBMAPTALDH1A1HPGDTRPV1
SCHEMBL6031343 0.85 EPHX2 (0.46)
SCHEMBL6030396 0.83 EPHX1 (0.43) RAB9ANPC1POLBMAPTALDH1A1
SCHEMBL6030385 0.81 NAMPT (0.43) CHRM4POLBMAPTALDH1A1HPGD
SCHEMBL6031178 0.81 ALDH1A1 (0.43) RAB9AMAPTALDH1A1HPGDCISD2
SCHEMBL6029710 0.81 ALDH1A1 (0.43) RAB9AMAPTALDH1A1HPGDCISD2
SCHEMBL6030054 0.81 ALDH1A1 (0.43) RAB9AMAPTALDH1A1HPGDCISD2
SCHEMBL6029669 0.81 ALDH1A1 (0.43) RAB9AMAPTALDH1A1HPGDCISD2
SCHEMBL6029757 0.81 ALDH1A1 (0.43) RAB9AMAPTALDH1A1HPGDCISD2
SCHEMBL6029645 0.79 ALDH1A1 (0.49) RAB9APOLBALDH1A1HPGDTRPV1

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 CHRM4 384/4885RAB9A 3221/4885NPC1 175/4885

“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.