SCHEMBL15565283

SCHEMBL15565283

Cc1ccc2c(c1)O[C@@H](C)[C@H](NC(=O)O)C(=O)N2

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 2/20 0.40
RIPK1 Q13546 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HSD17B10 Q99714 3/20 0.39
ALOX15 P16050 1/20 0.39
BRD4 O60885 2/20 0.37
CREBBP Q92793 2/20 0.37
PARP1 P09874 1/20 0.36
MITF O75030 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL15564861 0.84 PARP1 (0.55) USP2GAATSHRRIPK1MEN1
SCHEMBL15564765 0.84 PARP1 (0.55) USP2GAATSHRRIPK1MEN1
SCHEMBL15565258 0.83 XIAP (0.39) USP2GAATSHRRIPK1MEN1
SCHEMBL15564826 0.83 HSD17B10 (0.39) USP2GAATSHRRIPK1MEN1
SCHEMBL15594303 0.76 BRD4 (0.41) USP2GAATSHRMEN1KMT2A
SCHEMBL5672049 0.75 PARP1 (0.62) USP2GAATSHRMEN1KMT2A
Trifluoroacetic Acid SCHEMBL15564463 0.75 KMT2A (0.39) USP2GAATSHRMEN1KMT2A
SCHEMBL30674762 0.74 USP2 (0.44) USP2GAATSHRMEN1KMT2A
SCHEMBL13812526 0.74 USP2 (0.44) USP2GAATSHRMEN1KMT2A
SCHEMBL19207729 0.73 RIPK1 (0.64) RIPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9394263-B2 Substituted hetero-azepinones F. HOFFMANN-LA ROCHE AG (CH) 2016-07-19 US disclosed
US-20150361059-A1 SUBSTITUTED HETERO-AZEPINONES HOFFMAN-LA ROCHE INC. (US) 2015-12-17 US disclosed
EP-2882725-A1 SUBSTITUTED HETERO-AZEPINONES F. Hoffmann-La Roche AG (CH) 2015-06-17 EP disclosed
WO-2014023708-A1 SUBSTITUTED HETERO-AZEPINONES F. HOFFMANN-LA ROCHE AG (CH) 2014-02-13 WO 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-20150361059-A1 SUBSTITUTED HETERO-AZEPINONES CCNY, CCNE1, CCND3 USP2 3627/4885GAA 2880/4885TSHR 1000/4885

“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.