SCHEMBL14701897

SCHEMBL14701897

COC(=O)[C@@H](C)CCC(CNC(=O)OC(C)(C)C)SCc1ccc(OC)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.45
PPARA Q07869 2/20 0.45
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
IDO1 P14902 1/20 0.38
ACE P12821 1/20 0.38
EPHX1 P07099 1/20 0.38
CACNA1B Q00975 1/20 0.37
SYK P43405 1/20 0.37
SERPINE1 P05121 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
EPHX2 P34913 1/20 0.37
RAB9A P51151 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 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
SCHEMBL14701896 0.93 PPARG (0.50) PPARGPPARAGAAL3MBTL1IDO1
SCHEMBL8932405 0.88 PPARG (0.52) PPARGPPARAGAAL3MBTL1IDO1
SCHEMBL14701898 0.76 EPHX1 (0.43) GAAL3MBTL1IDO1ACEEPHX1
SCHEMBL7411635 0.73 PPARG (0.47) PPARGPPARAGAAL3MBTL1IDO1
SCHEMBL10511874 0.73 PPARG (0.62) PPARGPPARAGAAACECACNA1B
SCHEMBL10641625 0.72 GAA (0.51) PPARGPPARAGAAIDO1EPHX1
SCHEMBL7870056 0.72 PPARG (0.57) PPARGPPARAGAAL3MBTL1ACE
SCHEMBL22062857 0.72 ALDH1A1 (0.46) PPARGPPARAL3MBTL1ALDH1A1LMNA
SCHEMBL15745439 0.71 MEN1 (0.43) GAASYKSERPINE1KMT2AMEN1
SCHEMBL15745436 0.71 MEN1 (0.43) GAASYKSERPINE1KMT2AMEN1

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 PPARG 4191/4885PPARA 2818/4885GAA 1281/4885
US-20130041132-A1 CHEMICAL PREPARATION OF UBIQUITIN THIOESTERS AND MODIFICATIONS THEREOF OTUB1, USP28, PTMS PPARG 4191/4885PPARA 2818/4885GAA 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.