SCHEMBL6030976

SCHEMBL6030976

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.47
ALDH1A1 P00352 14/20 0.43
HPGD P15428 6/20 0.43
TSHR P16473 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 5/20 0.41
NPSR1 Q6W5P4 3/20 0.41
TP53 P04637 3/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 2/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 1/20 0.39
DUSP3 P51452 1/20 0.39
PTPN5 P54829 1/20 0.39
PTPN11 Q06124 1/20 0.39
KDM4E B2RXH2 1/20 0.38
APOBEC3G Q9HC16 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
SCHEMBL6030718 0.92 PKM (0.52) PKMALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL6030376 0.92 PKM (0.52) PKMALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL6030676 0.89 PKM (0.47) PKMALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL6029907 0.88 PKM (0.47) PKMALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL6030975 0.88 PKM (0.42) PKMALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL6030720 0.85 PKM (0.43) PKMALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL6030380 0.85 PKM (0.43) PKMALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL6030375 0.83 MAPT (0.45) PKMALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL6030349 0.82 ALDH1A1 (0.47) PKMALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL6030337 0.79 CNR1 (0.44) PKMALDH1A1TSHRCYP1A2CYP2C9

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 1832/4885HPGD 4273/4885

“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.