SCHEMBL6029645

SCHEMBL6029645

CCCCCCCCNC(=O)Nc1sc(C(=O)NCc2cccnc2)c(C)c1C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
CYP3A4 P08684 2/20 0.49
FES P07332 1/20 0.47
RET P07949 1/20 0.47
MARK3 P27448 1/20 0.47
TYK2 P29597 1/20 0.47
FLT4 P35916 1/20 0.47
SYK P43405 1/20 0.47
CLK2 P49760 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
TRPV1 Q8NER1 1/20 0.44
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 3/20 0.42
RAB9A P51151 1/20 0.42
SCD O00767 1/20 0.42
TSHR P16473 1/20 0.42
NAMPT P43490 2/20 0.41
FAAH O00519 2/20 0.41

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
SCHEMBL6030971 0.93 ALDH1A1 (0.44) ALDH1A1CYP3A4FESRETMARK3
SCHEMBL6030385 0.90 NAMPT (0.43) ALDH1A1CYP3A4HPGDSMN1; SMN2KMT2A
SCHEMBL6030396 0.90 EPHX1 (0.43) ALDH1A1SMN1; SMN2KMT2APOLBRAB9A
SCHEMBL6030294 0.88 FLT4 (0.52) ALDH1A1CYP3A4FESRETMARK3
SCHEMBL6030985 0.85 ALDH1A1 (0.49) ALDH1A1HPGDSMN1; SMN2KMT2APOLB
SCHEMBL6029757 0.84 ALDH1A1 (0.43) ALDH1A1HPGDKMT2ARAB9ATSHR
SCHEMBL6030054 0.84 ALDH1A1 (0.43) ALDH1A1HPGDKMT2ARAB9ATSHR
SCHEMBL6031178 0.84 ALDH1A1 (0.43) ALDH1A1HPGDKMT2ARAB9ATSHR
SCHEMBL6029710 0.84 ALDH1A1 (0.43) ALDH1A1HPGDKMT2ARAB9ATSHR
SCHEMBL6029669 0.84 ALDH1A1 (0.43) ALDH1A1HPGDKMT2ARAB9ATSHR

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 1832/4885CYP3A4 1493/4885FES 4418/4885

“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.