SCHEMBL3286267

SCHEMBL3286267

CC(C)(C)OC(=O)[C@@](N)(C=O)Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
IDO1 P14902 2/20 0.38
MAOB P27338 4/20 0.38
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
FFAR1 O14842 1/20 0.36
SRD5A2 P31213 1/20 0.35
PTPN1 P18031 1/20 0.35

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
SCHEMBL27535172 0.84 CYP3A4 (0.48) PPARGPPARAKMT2AGAAMEN1
SCHEMBL28603553 0.84 SMN1; SMN2 (0.39) KMT2ANPC1ALDH1A1MEN1
SCHEMBL8071398 0.84 SMN1; SMN2 (0.45) PPARGPPARAALDH1A1TAAR1
SCHEMBL5711180 0.84 SMN1; SMN2 (0.45) PPARGPPARAALDH1A1TAAR1
SCHEMBL27735390 0.81 SMN1; SMN2 (0.45) PPARGPPARAIDO1MAOBSRD5A2
SCHEMBL5844750 0.81 SMN1; SMN2 (0.45) PPARGPPARAIDO1MAOBSRD5A2
SCHEMBL5165438 0.77 PPARA (0.45) PPARGPPARAMAOBSRD5A2PTPN1
SCHEMBL5132912 0.75 PPARA (0.38) PPARGPPARAIDO1MAOBMAPT
SCHEMBL1147458 0.71 CYP2C19 (0.40) PPARGPPARAKMT2ANPC1ALDH1A1
SCHEMBL28190404 0.71 IDO1 (0.47) PPARAIDO1MAOBKMT2AALDH1A1

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-20100204160-A1 SUBSTITUTED 1,2-ETHYLENEDIAMINES, METHODS FOR PREPARING THEM AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-12 US disclosed
US-7713961-B2 Substituted 1,2-ethylenediamines, methods for preparing them and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-11 US disclosed
US-20090325940-A1 Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-31 US disclosed
EP-1866034-A1 SUBSTITUTED 1,2-ETHYLENDIAMINES, MEDICAMENTS COMPRISING SAID COMPOUND; THEIR USE AND THEIR METHOD OF MANUFACTURE Boehringer Ingelheim International GmbH (DE) 2007-12-19 EP disclosed
US-20060223759-A1 Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-05 US disclosed
WO-2006103038-A1 SUBSTITUTED 1,2-ETHYLENDIAMINES, MEDICAMENTS COMPRISING SAID COMPOUND; THEIR USE AND THEIR METHOD OF MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-05 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 (3 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-20060223759-A1 Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof PSEN1, PSEN2, BACE1 PPARG 3691/4885PPARA 3435/4885IDO1 768/4885
US-20100204160-A1 SUBSTITUTED 1,2-ETHYLENEDIAMINES, METHODS FOR PREPARING THEM AND USES THEREOF PSEN1, PSEN2, BACE1 PPARG 3691/4885PPARA 3435/4885IDO1 768/4885
US-20090325940-A1 Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof PSEN1, PSEN2, BACE1 PPARG 3691/4885PPARA 3435/4885IDO1 768/4885

“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.