SCHEMBL6029905

SCHEMBL6029905

CCCCCCC(C)OC(=O)c1sc(NC(=O)OCC(C)C)c(C(=O)O)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.42
ALDH1A1 P00352 13/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TSHR P16473 5/20 0.40
HSD17B10 Q99714 5/20 0.40
NPSR1 Q6W5P4 3/20 0.40
HPGD P15428 5/20 0.39
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 2/20 0.38
DUSP3 P51452 1/20 0.37
PTPN5 P54829 1/20 0.37
PTPN11 Q06124 1/20 0.37
KMT2A Q03164 2/20 0.36

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
SCHEMBL6031316 0.89 ALDH1A1 (0.44) PKMALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL6030975 0.89 PKM (0.42) PKMALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL6029907 0.87 PKM (0.47) PKMALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL6029728 0.86 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2POLBKDM4E
SCHEMBL6029738 0.83 ALDH1A1 (0.42) ALDH1A1TSHRHSD17B10NPSR1HPGD
SCHEMBL6030720 0.80 PKM (0.43) PKMALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL6030380 0.80 PKM (0.43) PKMALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL6029188 0.78 ALDH1A1 (0.42) PKMALDH1A1CYP1A2CYP2C19TSHR
SCHEMBL6030167 0.78 ALDH1A1 (0.42) PKMALDH1A1CYP1A2CYP2C19TSHR
SCHEMBL6030673 0.77 PKM (0.42) PKMALDH1A1CYP1A2CYP2C9CYP2C19

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 PKM 4066/4885ALDH1A1 1832/4885CYP1A2 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.