SCHEMBL17478142

SCHEMBL17478142

COc1ccccc1C(=O)OC(=O)CC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.54
NPC1 O15118 3/20 0.50
KMT2A Q03164 2/20 0.48
HPGD P15428 4/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TP53 P04637 1/20 0.48
GLA P06280 1/20 0.48
STAT3 P40763 1/20 0.47
HTT P42858 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HSP90AA1 P07900 1/20 0.47
RAB9A P51151 2/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL2500704 0.86 TSHR (0.48) NPC1KMT2ALMNAALDH1A1GAA
SCHEMBL27875398 0.85 CTSD (0.54) CTSDNPC1KMT2AHPGDMAPT
SCHEMBL446339 0.82 HPGD (0.59) CTSDNPC1KMT2AHPGDMAPT
SCHEMBL7172322 0.81 HPGD (0.54) CTSDNPC1KMT2AHPGDMAPT
SCHEMBL11949171 0.81 KMT2A (0.49) CTSDNPC1KMT2AHPGDMAPT
SCHEMBL4644404 0.81 CTSD (0.50) CTSDNPC1KMT2AHPGDMAPT
SCHEMBL2500707 0.80 ALDH1A1 (0.49) KMT2AHPGDLMNAALDH1A1TSHR
SCHEMBL31337028 0.80 NPC1 (0.70) CTSDNPC1KMT2AHPGDLMNA
SCHEMBL2222069 0.80 NPC1 (0.70) CTSDNPC1KMT2AHPGDLMNA
SCHEMBL125031 0.79 HPGD (0.56) CTSDNPC1KMT2AHPGDMAPT

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-9932309-B2 2-oxo-3,4-dihydropyridine-5-carboxylates and their use UNIVERSITE DE LILLE 2 DROIT ET SANTE (FR) 2018-04-03 US disclosed
US-20170210710-A1 2-OXO-3,4-DIHYDROPYRIDINE-5-CARBOXYLATES AND THEIR USE INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2017-07-27 US disclosed
EP-3174872-A1 2-OXO-3,4-DIHYDROPYRIDINE-5-CARBOXYLATES AND THEIR USE Université de Lille 2 Droit et Santé (FR) 2017-06-07 EP disclosed
WO-2016016238-A1 2-OXO-3,4-DIHYDROPYRIDINE-5-CARBOXYLATES AND THEIR USE UNIVERSITE DE LILLE 2 DROIT ET SANTE (FR) 2016-02-04 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-20170210710-A1 2-OXO-3,4-DIHYDROPYRIDINE-5-CARBOXYLATES AND THEIR USE CYP3A5, CYP2D6, QDPR CTSD 1041/4885NPC1 1371/4885KMT2A 3232/4885

“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.