SCHEMBL14701892

SCHEMBL14701892

C[C@@H](CCC(CNC(=O)OC(C)(C)C)SC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.42
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
IDO1 P14902 1/20 0.39
CTSK P43235 6/20 0.38
PPARG P37231 3/20 0.38
PPARA Q07869 3/20 0.38
KCNA5 P22460 1/20 0.38
KIF11 P52732 1/20 0.38
CTSS P25774 2/20 0.37
ATM Q13315 1/20 0.37
PCSK9 Q8NBP7 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MALT1 Q9UDY8 1/20 0.37
PPARD Q03181 2/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 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
SCHEMBL16386313 0.82 SYK (0.46) SYKMEN1GAAKMT2AIDO1
SCHEMBL15745438 0.79 MEN1 (0.48) SYKMEN1GAAKMT2ACTSK
SCHEMBL4960232 0.77 SYK (0.45) SYKMEN1GAAKMT2AIDO1
SCHEMBL9880619 0.76 MEN1 (0.46) SYKMEN1GAAKMT2ACTSK
SCHEMBL9880621 0.76 MEN1 (0.46) SYKMEN1GAAKMT2ACTSK
SCHEMBL14701896 0.73 PPARG (0.50) SYKMEN1GAAKMT2AIDO1
SCHEMBL27397174 0.72 MEN1 (0.53) SYKMEN1GAAKMT2ACTSK
SCHEMBL15745442 0.72 MEN1 (0.53) SYKMEN1GAAKMT2ACTSK
SCHEMBL4740872 0.72 KMT2A (0.54) SYKMEN1GAAKMT2ACTSK
SCHEMBL288557 0.72 KMT2A (0.54) SYKMEN1GAAKMT2ACTSK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160002286-A1 CHEMICAL PREPARATION OF UBIQUITIN THIOESTERS AND MODIFICATIONS THEREOF BEN-GURION UNIVERSITY OF THE NEGEV RESEARCH AND DEVELOPMENT AUTHORITY 2016-01-07 US disclosed
US-9175053-B2 Chemical preparation of ubiquitin thioesters and modifications thereof BEN-GURION UNIVERSITY OF THE NEGEV RESEARCH AND DEVELOPMENT AUTHORITY (IL) 2015-11-03 US disclosed
US-20130041132-A1 CHEMICAL PREPARATION OF UBIQUITIN THIOESTERS AND MODIFICATIONS THEREOF BEN-GURION UNIVERSITY OF THE NEGEV RESEARCH AND DEVELOPMENT AUTHORITY (IL) 2013-02-14 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 (2 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-20160002286-A1 CHEMICAL PREPARATION OF UBIQUITIN THIOESTERS AND MODIFICATIONS THEREOF OTUB1, USP28, PTMS SYK 1742/4885MEN1 4013/4885GAA 1281/4885
US-20130041132-A1 CHEMICAL PREPARATION OF UBIQUITIN THIOESTERS AND MODIFICATIONS THEREOF OTUB1, USP28, PTMS SYK 1742/4885MEN1 4013/4885GAA 1281/4885

“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.