SCHEMBL1657906

SCHEMBL1657906

COC(=O)c1cc(NC(=O)CSSCCNC(=O)CCCCC2CCSS2)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPRF P10586 9/20 0.47
PTPN2 P17706 9/20 0.47
PTPN1 P18031 9/20 0.47
BCHE P06276 9/20 0.47
ACHE P22303 6/20 0.45
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
NOS1 P29475 1/20 0.40
APP P05067 1/20 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
SCHEMBL12798742 1.00 PTPRF (0.47) PTPRFPTPN2PTPN1BCHEACHE
SCHEMBL1657084 0.91 PTPRF (0.47) PTPRFPTPN2PTPN1BCHEACHE
SCHEMBL12797573 0.91 PTPRF (0.47) PTPRFPTPN2PTPN1BCHEACHE
SCHEMBL1664293 0.89 BCHE (0.42) PTPRFPTPN2PTPN1BCHEACHE
SCHEMBL1657891 0.87 PTPRF (0.59) PTPRFPTPN2PTPN1BCHEACHE
SCHEMBL1657894 0.87 PTPRF (0.59) PTPRFPTPN2PTPN1BCHEACHE
SCHEMBL1662257 0.80 PTPRF (0.42) PTPRFPTPN2PTPN1BCHEACHE
SCHEMBL1664515 0.77 EGFR (0.45) PTPRFPTPN2PTPN1BCHEACHE
SCHEMBL1664516 0.77 EGFR (0.45) PTPRFPTPN2PTPN1BCHEACHE
SCHEMBL1659911 0.77 PTPRF (0.60) PTPRFPTPN2PTPN1BCHEACHE

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-8946451-B2 Lipoic acid acylated salicylate derivatives and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2015-02-03 US disclosed
US-20110082192-A1 LIPOIC ACID ACYLATED SALICYLATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2011-04-07 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-20110082192-A1 LIPOIC ACID ACYLATED SALICYLATE DERIVATIVES AND THEIR USES ACACA, ACAT2, ACACB PTPRF 1458/4885PTPN2 853/4885PTPN1 1032/4885

“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.