SCHEMBL2589170

SCHEMBL2589170

COc1ccc(NC(=O)OC(C)(C)C)c(OC)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
CYP1A1 P04798 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP1B1 Q16678 1/20 0.58
HPGD P15428 1/20 0.58
LPAR1 Q92633 1/20 0.58
MAPT P10636 4/20 0.57
TSHR P16473 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
GAA P10253 2/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 1/20 0.56
AHR P35869 1/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
POLB P06746 1/20 0.56
KDM4E B2RXH2 1/20 0.53
GLA P06280 1/20 0.53

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
SCHEMBL1676961 0.89 ALDH1A1 (0.50) ALDH1A1CYP1A1CYP1A2CYP1B1HPGD
SCHEMBL29991362 0.88 GAA (0.60) ALDH1A1CYP1A2HPGDMAPTTSHR
SCHEMBL115661 0.88 GAA (0.60) ALDH1A1CYP1A2HPGDMAPTTSHR
SCHEMBL28465659 0.88 ALDH1A1 (0.49) ALDH1A1CYP1A1CYP1A2CYP1B1HPGD
SCHEMBL15457550 0.86 EPHX1 (0.57) ALDH1A1HPGDLPAR1MAPTGAA
SCHEMBL11660515 0.85 ALDH1A1 (0.73) ALDH1A1CYP1A1CYP1A2CYP1B1HPGD
SCHEMBL13282637 0.85 ALDH1A1 (0.50) ALDH1A1CYP1A1CYP1A2CYP1B1HPGD
SCHEMBL24253966 0.85 POLB (0.56) ALDH1A1CYP1A1CYP1A2CYP1B1LPAR1
SCHEMBL2795277 0.85 NPC1 (0.46) ALDH1A1CYP1A1CYP1A2CYP1B1HPGD
SCHEMBL31372038 0.85 NPC1 (0.46) ALDH1A1CYP1A1CYP1A2CYP1B1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023218187-A1 AMINOPYRIMIDINYL DERIVATIVES FOR THE TREAMENT OF PARKINSON'S DISEASE UNIVERSITY OF DUNDEE (GB) 2023-11-16 WO disclosed
EP-4276097-A1 AMINOPYRIMIDINYL DERIVATIVES FOR THE TREAMENT OF PARKINSON'S DISEASE University Of Dundee (GB) 2023-11-15 EP disclosed
US-9040019-B2 Methods of detecting myelin basic protein GENERAL ELECTRIC COMPANY (US) 2015-05-26 US disclosed
CN-103025716-B Bicyclic compound derivatives and their use as acc inhibitors TAKEDA PHARMACEUTICAL 2014-12-24 CN disclosed
US-20140154178-A1 METHODS OF DETECTING MYELIN BASIC PROTEIN GENERAL ELECTRIC COMPANY (US) 2014-06-05 US disclosed
CN-103025716-A Bicyclic compound derivatives and their use as acc inhibitors TAKEDA PHARMACEUTICAL 2013-04-03 CN disclosed
WO-2011136385-A1 BICYCLIC COMPOUND DERIVATIVES AND THEIR USE AS ACC INHIBITORS. TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-03 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-20140154178-A1 METHODS OF DETECTING MYELIN BASIC PROTEIN MAG, PMP22, MYT1 ALDH1A1 4638/4885CYP1A1 4866/4885CYP1A2 4872/4885

“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.