SCHEMBL4856473

SCHEMBL4856473

CCOC(=O)COc1ccc(NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.54
GAA P10253 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
IDH1 O75874 1/20 0.50
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
CRHBP P24387 1/20 0.49
RAB9A P51151 1/20 0.49
CRHR2 Q13324 1/20 0.49
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
MAPK1 P28482 1/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48

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
SCHEMBL22568324 0.89 MEN1 (0.54) PPARGPPARASMN1; SMN2NPC1HPGD
SCHEMBL4215869 0.87 ALDH1A1 (0.52) PPARGPPARAALDH1A1MAPTFAAH
SCHEMBL8575829 0.87 KMT2A (0.63) SMN1; SMN2NPC1HPGDRAB9AALDH1A1
SCHEMBL3973072 0.85 CYP17A1 (0.54) SMN1; SMN2NPC1HPGDRAB9AALDH1A1
SCHEMBL14363180 0.85 HDAC8 (0.53) ALDH1A1FAAH
SCHEMBL7475639 0.84 SMN1; SMN2 (0.56) GAANPSR1IDH1PPARGPPARA
SCHEMBL13827429 0.84 CYP17A1 (0.49) SMN1; SMN2NPC1HPGDRAB9AALDH1A1
SCHEMBL3616219 0.84 MAPT (0.57) PPARGPPARASMN1; SMN2NPC1RAB9A
SCHEMBL8663820 0.84 KMT2A (0.47) EPHX2GAAIDH1SMN1; SMN2NPC1
SCHEMBL7351054 0.83 SMN1; SMN2 (0.50) GAANPSR1SMN1; SMN2NPC1HPGD

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-20100048570-A1 THIAZOLIDINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF Kainos Medicine, Inc (KR) 2010-02-25 US disclosed
US-20100048570-A1 THIAZOLIDINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF Kainos Medicine, Inc (KR) 2010-02-25 US disclosed
US-7345067-B2 Aniline derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2008-03-18 US disclosed
EP-1636198-A1 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-03-22 EP disclosed
WO-2004111020-A1 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-12-23 WO disclosed
US-20040248951-A1 Aniline derivatives, their manufacture and use as pharmaceuticals F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2004-12-09 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-20040248951-A1 Aniline derivatives, their manufacture and use as pharmaceuticals PPARA, PPARD, PPARG EPHX2 1978/4885GAA 2594/4885NPSR1 412/4885
US-20100048570-A1 THIAZOLIDINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF DPP4, DPP3, DPP7 EPHX2 2271/4885GAA 300/4885NPSR1 2338/4885

“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.