SCHEMBL4409110

SCHEMBL4409110

CCN(C(N)=O)c1ccccc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.46
GLA P06280 1/20 0.46
HTT P42858 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
TP53 P04637 2/20 0.44
ALOX15 P16050 1/20 0.43
ABCC1 P33527 1/20 0.42
PTPN1 P18031 4/20 0.42
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL2699840 0.86 ALDH1A1 (0.47) ALDH1A1TSHRHTTTDP1TP53
SCHEMBL5512527 0.86 ALDH1A1 (0.48) ALDH1A1TSHRGLATDP1TP53
SCHEMBL5515003 0.79 TP53 (0.49) ALDH1A1TSHRHTTTDP1TP53
Hydrazine SCHEMBL27419993 0.79 TP53 (0.50) ALDH1A1TSHRGLAHTTTDP1
SCHEMBL1668024 0.78 TP53 (0.53) ALDH1A1TSHRGLAHTTTDP1
Propylamine SCHEMBL28083663 0.78 TP53 (0.47) ALDH1A1TSHRHTTTDP1TP53
SCHEMBL4286533 0.78 ESR1 (0.48) ALDH1A1TSHRHTTKMT2AKDM4E
SCHEMBL10869825 0.77 ALDH1A1 (0.45) ALDH1A1TSHRHTTTP53PTPN1
SCHEMBL4294748 0.77 TSHR (0.43) ALDH1A1TSHRGLATDP1TP53
SCHEMBL5510917 0.77 LTB4R2 (0.47) ALDH1A1TSHRTP53ALOX15KMT2A

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 ALDH1A1 1939/4885TSHR 3659/4885GLA 510/4885
US-20060166859-A1 Compounds and compositions for delivering active agents ABCB4, ABCB7, ALPP ALDH1A1 1939/4885TSHR 3659/4885GLA 510/4885
US-20090324540-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS ABCB4, ABCB7, ALPP ALDH1A1 1939/4885TSHR 3659/4885GLA 510/4885

“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.