SCHEMBL5176902

SCHEMBL5176902

CC(C)(C)OC(=O)CC(=O)c1ccncc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 2/20 0.53
PLOD3 O60568 2/20 0.53
PLOD1 Q02809 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C19 P33261 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
CYP2C9 P11712 1/20 0.53
HIF1A Q16665 1/20 0.53
CYP17A1 P05093 3/20 0.45
LMNA P02545 2/20 0.44
KDM4E B2RXH2 2/20 0.43
MPO P05164 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CYP2A6 P11509 1/20 0.43
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42

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
SCHEMBL12157882 0.85 PLOD2 (0.44) PLOD2PLOD3PLOD1CYP1A2CYP3A4
SCHEMBL5558609 0.83 ACACB (0.47) PLOD2PLOD3PLOD1CYP1A2CYP3A4
SCHEMBL768486 0.82 KMT2A (0.57) PLOD2PLOD3PLOD1CYP1A2CYP3A4
SCHEMBL14740772 0.82 HCAR2 (0.44) PLOD2PLOD3PLOD1CYP1A2CYP3A4
SCHEMBL1919299 0.82 PLOD2 (0.60) PLOD2PLOD3PLOD1CYP1A2CYP3A4
SCHEMBL5557714 0.81 CYP17A1 (0.48) PLOD2PLOD3PLOD1CYP1A2CYP3A4
SCHEMBL5158637 0.81 PLOD2 (0.59) PLOD2PLOD3PLOD1CYP1A2CYP3A4
SCHEMBL1200949 0.81 NPC1 (0.59) ALDH1A1LMNAKDM4EL3MBTL1MAPT
SCHEMBL21616600 0.80 PTPN1 (0.57) ALDH1A1LMNAMAPT
SCHEMBL9859381 0.79 ERCC5 (0.51) ALDH1A1LMNAKDM4EL3MBTL1MAPT

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
EP-4655295-A1 SUBSTITUTED 1H-PYRAZOLE-4-CARBOXAMIDES AS SARM1 INHIBITORS Disarm Therapeutics, Inc. (US) 2025-12-03 EP disclosed
WO-2024158607-A1 SUBSTITUTED 1H-PYRAZOLE-4-CARBOXAMIDES AS SARM1 INHIBITORS DISARM THERAPEUTICS, INC. (US) 2024-08-02 WO disclosed
US-8293899-B2 Ketone transfer hydrogenation of stereoisomerically enriched 3-heteroaryl-3-oxocarboxylic esters by reducing 3-heteroaryl-3-hydroxycarboxylic esters in the presence of a ruthenium-containing catalyst, an amine and formic acid and/or formates LANXESS DEUTSCHLAND GMBH (DE) 2012-10-23 US disclosed
EP-1340746-B1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives SALTIGO GMBH (DE) 2007-02-28 EP disclosed
US-20030225274-A1 Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2003-12-04 US disclosed
EP-1340746-A1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives BAYER AG (DE) 2003-09-03 EP 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-20030225274-A1 Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives GRHPR, HPD, HAAO PLOD2 1169/4885PLOD3 3951/4885PLOD1 1574/4885

“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.