SCHEMBL6031316

SCHEMBL6031316

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.44
PKM P14618 1/20 0.42
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 5/20 0.39
NPSR1 Q6W5P4 3/20 0.39
GAA P10253 1/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 5/20 0.39
TSHR P16473 3/20 0.39
HSD17B10 Q99714 3/20 0.39
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL6029905 0.89 PKM (0.42) ALDH1A1PKMKMT2AKDM4EL3MBTL1
SCHEMBL6030673 0.88 PKM (0.42) ALDH1A1PKMKMT2AKDM4EL3MBTL1
SCHEMBL6031318 0.86 PKM (0.48) ALDH1A1PKMKMT2AKDM4EMAPT
SCHEMBL6029738 0.85 ALDH1A1 (0.42) ALDH1A1MAPTNPSR1POLBHPGD
SCHEMBL6029728 0.85 ALDH1A1 (0.47) ALDH1A1KMT2AKDM4EL3MBTL1MAPT
SCHEMBL6030720 0.78 PKM (0.43) ALDH1A1PKMKMT2AMAPTNPSR1
SCHEMBL6030380 0.78 PKM (0.43) ALDH1A1PKMKMT2AMAPTNPSR1
SCHEMBL6030975 0.77 PKM (0.42) ALDH1A1PKMKMT2AKDM4EMAPT
SCHEMBL6030167 0.76 ALDH1A1 (0.42) ALDH1A1PKMKMT2AKDM4EL3MBTL1
SCHEMBL6029188 0.76 ALDH1A1 (0.42) ALDH1A1PKMKMT2AKDM4EL3MBTL1

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 ALDH1A1 1832/4885PKM 4066/4885KMT2A 3645/4885

“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.