SCHEMBL1657891

SCHEMBL1657891

COC(=O)c1cc(NC(=O)CCCC[C@H]2CCSS2)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRF P10586 9/20 0.59
PTPN2 P17706 9/20 0.59
PTPN1 P18031 9/20 0.59
BCHE P06276 3/20 0.56
NOS1 P29475 1/20 0.49
EPHX2 P34913 1/20 0.45
KMT2A Q03164 3/20 0.43
ACHE P22303 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TARDBP Q13148 2/20 0.43
CYP2C9 P11712 1/20 0.43
MEN1 O00255 1/20 0.43
NR1I2 O75469 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
THRB P10828 1/20 0.43
TSHR P16473 1/20 0.43
APEX1 P27695 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL1657894 1.00 PTPRF (0.59) PTPRFPTPN2PTPN1BCHENOS1
SCHEMBL1659911 0.89 PTPRF (0.60) PTPRFPTPN2PTPN1BCHENOS1
SCHEMBL1659912 0.89 PTPRF (0.60) PTPRFPTPN2PTPN1BCHENOS1
SCHEMBL15240243 0.89 PTPRF (0.60) PTPRFPTPN2PTPN1BCHENOS1
SCHEMBL1657906 0.87 PTPRF (0.47) PTPRFPTPN2PTPN1BCHENOS1
SCHEMBL12798742 0.87 PTPRF (0.47) PTPRFPTPN2PTPN1BCHENOS1
SCHEMBL1664515 0.84 EGFR (0.45) PTPRFPTPN2PTPN1BCHEEPHX2
SCHEMBL1664516 0.84 EGFR (0.45) PTPRFPTPN2PTPN1BCHEEPHX2
SCHEMBL1664293 0.82 BCHE (0.42) PTPRFPTPN2PTPN1BCHENOS1
SCHEMBL1659758 0.81 PTPRF (0.50) PTPRFPTPN2PTPN1BCHENOS1

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 6 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-8946451-B2 Lipoic acid acylated salicylate derivatives and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2015-02-03 US disclosed
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
US-20110082192-A1 LIPOIC ACID ACYLATED SALICYLATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2011-04-07 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.