SCHEMBL6029684

SCHEMBL6029684

CCCCCCCCCCCCCCCCNC(=O)Nc1sc(C(=O)OCc2ccccc2)c(C)c1C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
POLB P06746 2/20 0.45
ALDH1A1 P00352 8/20 0.44
EPHX1 P07099 3/20 0.44
HTT P42858 1/20 0.44
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HPGD P15428 2/20 0.40
BRAF P15056 1/20 0.39
PKM P14618 1/20 0.39
SIRT2 Q8IXJ6 2/20 0.39
SIRT1 Q96EB6 2/20 0.39
SIRT3 Q9NTG7 2/20 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
SCHEMBL6030356 1.00 MAPT (0.45) MAPTPOLBALDH1A1EPHX1HTT
SCHEMBL6031521 1.00 MAPT (0.45) MAPTPOLBALDH1A1EPHX1HTT
SCHEMBL6031142 1.00 MAPT (0.45) MAPTPOLBALDH1A1EPHX1HTT
SCHEMBL6030081 0.92 ALDH1A1 (0.40) MAPTPOLBALDH1A1EPHX1HTT
SCHEMBL6030202 0.91 MAPT (0.50) MAPTPOLBALDH1A1TSHRNPSR1
SCHEMBL6030083 0.90 MAPT (0.39) MAPTPOLBALDH1A1EPHX1HTT
SCHEMBL6030484 0.90 MAPT (0.48) MAPTPOLBALDH1A1EPHX1HTT
SCHEMBL6030396 0.88 EPHX1 (0.43) MAPTPOLBALDH1A1EPHX1HTT
SCHEMBL6030651 0.88 NPC1 (0.46) MAPTPOLBALDH1A1EPHX1HTT
SCHEMBL6030667 0.88 NPC1 (0.46) MAPTPOLBALDH1A1EPHX1HTT

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 2 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
US-20030195199-A1 Pancreatic lipase inhibitor compounds, their synthesis and use OSI PHARMACEUTICALS, INC. 2003-10-16 US 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 MAPT 4105/4885POLB 2788/4885ALDH1A1 1832/4885

“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.