SCHEMBL880203

SCHEMBL880203

CC1=C(C(=O)OCc2ccccc2)C(c2ccccc2C(F)(F)F)CC(=O)N1

nearest known ligand 0.89

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.89
GPBAR1 Q8TDU6 6/20 0.71
TSHR P16473 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
GAA P10253 2/20 0.52
HSD17B10 Q99714 1/20 0.52
LMNA P02545 1/20 0.51
PKM P14618 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CACNA1F O60840 1/20 0.48
CACNA1D Q01668 1/20 0.48
CACNA1S Q13698 1/20 0.48
CACNA1C Q13936 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 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
SCHEMBL880260 0.86 TP53 (0.88) TP53GPBAR1TSHRSMN1; SMN2GAA
SCHEMBL17478169 0.86 GPBAR1 (0.74) TP53GPBAR1TSHRSMN1; SMN2GAA
SCHEMBL880242 0.84 GPBAR1 (0.73) TP53GPBAR1TSHRGAAHSD17B10
SCHEMBL880255 0.83 GPBAR1 (1.00) TP53GPBAR1TSHRCYP3A4NPSR1
SCHEMBL17478056 0.83 GPBAR1 (0.79) TP53GPBAR1TSHRSMN1; SMN2GAA
SCHEMBL9032624 0.82 CACNA1C (0.66) TP53TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL17478238 0.82 GPBAR1 (0.89) TP53GPBAR1PKM
SCHEMBL19175150 0.81 TP53 (0.61) TP53GPBAR1TSHRCACNA1FCACNA1D
SCHEMBL17478214 0.81 GPBAR1 (0.80) TP53GPBAR1TSHRPKMCACNA1F
SCHEMBL14587506 0.80 GPBAR1 (0.82) TP53GPBAR1TSHRSMN1; SMN2GAA

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 18 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-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-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
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
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
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
US-20130289022-A1 TETRAMERIC ALPHA-SYNUCLEIN AND USE THEREOF BRANDEIS UNIVERSITY (US) 2013-10-31 US disclosed
US-8440705-B2 2,3,4,7,8,9-hexahydro-1H-cyclopenta[h]quinolin-2-one or 2,3,4,6,7,8-hexahydro-1H-cyclopenta[g]quinolin-2-one; Alzheimer's disease WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2013-05-14 US disclosed
US-8440705-B2 2,3,4,7,8,9-hexahydro-1H-cyclopenta[h]quinolin-2-one or 2,3,4,6,7,8-hexahydro-1H-cyclopenta[g]quinolin-2-one; Alzheimer's disease WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2013-05-14 US disclosed
EP-2433634-A2 Compounds, compositions and methods of inhibiting a-synuclein toxicity The Whitehead Institute for Biomedical Research (US) 2012-03-28 EP disclosed
US-20100004277-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-01-07 US disclosed
US-20100004277-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-01-07 US disclosed
US-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2008-10-23 US disclosed
US-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2008-10-23 US disclosed
WO-2007089548-A2 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2007-08-09 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-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity SNCA, PARK7, HTT TP53 1529/4885GPBAR1 3453/4885TSHR 3894/4885
US-20170210710-A1 2-OXO-3,4-DIHYDROPYRIDINE-5-CARBOXYLATES AND THEIR USE CYP3A5, CYP2D6, QDPR TP53 3689/4885GPBAR1 1068/4885TSHR 4623/4885
US-20100004277-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING GOLT1B, NPC1L1, NPC1 TP53 3445/4885GPBAR1 1890/4885TSHR 4330/4885

“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.