SCHEMBL4409115

SCHEMBL4409115

CCc1ccc(C(=O)O)c(N)c1C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 5/20 0.45
GABRD O14764 5/20 0.45
GABRA1 P14867 5/20 0.45
GABRB1 P18505 5/20 0.45
GABRG2 P18507 5/20 0.45
GABRB3 P28472 5/20 0.45
GABRA5 P31644 5/20 0.45
GABRA3 P34903 5/20 0.45
GABRA2 P47869 5/20 0.45
GABRB2 P47870 5/20 0.45
GABRA4 P48169 5/20 0.45
GABRE P78334 5/20 0.45
GABRA6 Q16445 5/20 0.45
GABRG1 Q8N1C3 5/20 0.45
GABRG3 Q99928 5/20 0.45
GABRQ Q9UN88 5/20 0.45
CASP6 P55212 2/20 0.39
G6PD P11413 1/20 0.39
CASP7 P55210 1/20 0.39
ALDH1A1 P00352 6/20 0.36

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
SCHEMBL580101 0.82 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2925692 0.81 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27757154 0.79 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5169474 0.78 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7538102 0.78 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15777342 0.76 CLCN2 (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11547908 0.75 GABRP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4155497 0.74 PKM (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10988751 0.74 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11532622 0.74 ALDH1A1 (0.40) ALDH1A1MAPTKMT2AMEN1LMNA

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015008-B1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2015-08-05 EP disclosed
US-20090324540-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2009-12-31 US disclosed
US-7553872-B2 Compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2009-06-30 US disclosed
EP-0993831-B1 Compounds and compositions for delivering active agents EMISPHERE TECH INC (US) 2008-01-09 EP disclosed
US-7125910-B2 Compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2006-10-24 US disclosed
EP-1015008-A4 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2006-08-09 EP disclosed
US-20060166859-A1 Compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2006-07-27 US disclosed
US-7071214-B2 Compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2006-07-04 US disclosed
EP-1093819-B1 Compound and composition for delivering active agents EMISPHERE TECH INC (US) 2006-05-03 EP disclosed
US-20040022856-A1 Compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. 2004-02-05 US disclosed
US-6051561-A MIXTURE OF ACTIVE MATERIAL AND A CARBOXYLATED PHENOL COMPOUND EMISPHERE TECHNOLOGIES INC. (US) 2000-04-18 US disclosed
US-5990166-A O-(1-CARBOXYOCTYLCARBONYLAMINO)PHENOL AS A CARRIER; DRUG DELIVERY; ACID RESISTANCE; FORMING NONCOVALENT MIXTURES WITH BIOLOGICALLY ACTIVE AGENTS FOR ORAL ADMINISTRATION; E.G., CALCITONIN, INSULIN, POLYSACCHARIDES, MUCOPOLYSACCHARIDES EMISPHERE TECHNOLOGIES, INC. (US) 1999-11-23 US disclosed
WO-1998034632-A9 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 1999-09-02 WO disclosed
US-5939381-A 4-(4-(PHENOXYACETYL)AMINOPHENYL)BUTYRIC ACID AS A CARRIER FOR DRUG DELIVERY EMISPHERE TECHNOLOGIES, INC. (US) 1999-08-17 US disclosed
US-5879681-A Compounds and compositions for delivering active agents EMISPHERE TECHNOLGIES INC. (US) 1999-03-09 US disclosed
US-5876710-A DRUG DELIVERY; USING A BROMINATED BENZAMIDE COMPOUND EMISPHERE TECHNOLOGIES INC. (US) 1999-03-02 US disclosed
US-5804688-A 6-N-(3,5-DICHLORO-2-HYDROXYBENZOYL)AMINOCAPROIC ACID EMISPHERE TECHNOLOGIES, INC. (US) 1998-09-08 US disclosed
WO-1998034632-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 1998-08-13 WO disclosed
US-5776888-A 3-(DIMETHOXYBENZOYLAMINOPHENYL) PROPIONIC ACID EMISPHERE TECHNOLOGIES, INC. (US) 1998-07-07 US disclosed
US-5773647-A USING A AROMATIC COMPOUND CONTAINING AMIDE AND CARBOXY GROUPS EMISPHERE TECHNOLOGIES, INC. (US) 1998-06-30 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 (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-20040022856-A1 Compounds and compositions for delivering active agents ABCB4, ABCB7, ALPP GABRP 3918/4885GABRD 4115/4885GABRA1 4613/4885
US-20060166859-A1 Compounds and compositions for delivering active agents ABCB4, ABCB7, ALPP GABRP 3918/4885GABRD 4115/4885GABRA1 4613/4885
US-20090324540-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS ABCB4, ABCB7, ALPP GABRP 3918/4885GABRD 4115/4885GABRA1 4613/4885

“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.