SCHEMBL12679677

SCHEMBL12679677

CC(CCC(=O)O)C(=O)N(Cc1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
LTB4R2 Q9NPC1 1/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GLA P06280 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
PAX8 Q06710 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HPGD P15428 1/20 0.47
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.44
CPA3 P15088 1/20 0.43

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
SCHEMBL12679829 0.89 ATM (0.49) ATMTDP1L3MBTL1LTB4R2NPC1
SCHEMBL1114963 0.85 ALDH1A1 (0.54) ALDH1A1GLAHTTSMN1; SMN2HPGD
SCHEMBL12679663 0.85 NPC1 (0.51) ATMTDP1L3MBTL1LTB4R2NPC1
SCHEMBL11931984 0.83 ATM (0.58) ATMTDP1L3MBTL1LTB4R2NPC1
SCHEMBL13741509 0.83 ATM (0.58) ATMTDP1L3MBTL1LTB4R2NPC1
SCHEMBL12658891 0.81 LTB4R2 (0.68) ATMTDP1L3MBTL1LTB4R2NPC1
SCHEMBL28765383 0.79 CNR2 (0.50) ATMTDP1L3MBTL1LTB4R2
SCHEMBL889502 0.78 NPC1 (0.54) ATMTDP1L3MBTL1LTB4R2NPC1
SCHEMBL1114842 0.77 ALDH1A1 (0.53) TDP1ALDH1A1GLASMN1; SMN2HPGD
SCHEMBL29217641 0.76 RNF4 (0.56) LTB4R2NPC1ALDH1A1RAB9ASMN1; SMN2

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-1756039-B1 Compounds and compositions for delivering active agents EMISPHERE TECH INC (US) 2012-10-17 EP disclosed
US-8273794-B2 7-[isopropyl(phenyl)amino]-7-oxoheptanoic acid, 3-(2-Hydroxy-benzoylamino)-butyric acid, 4-Oxo-4-phenyl-butyric acid, 10-(2-Hydroxy-phenyl)-10-oxo-decanoic acid, 4-(4-Methoxy-phenyl)-4-oxo-butyric acid: promoting the absorption of the active agent EMISPHERE TECHNOLOGIES, INC. (US) 2012-09-25 US disclosed
US-8273794-B2 7-[isopropyl(phenyl)amino]-7-oxoheptanoic acid, 3-(2-Hydroxy-benzoylamino)-butyric acid, 4-Oxo-4-phenyl-butyric acid, 10-(2-Hydroxy-phenyl)-10-oxo-decanoic acid, 4-(4-Methoxy-phenyl)-4-oxo-butyric acid: promoting the absorption of the active agent EMISPHERE TECHNOLOGIES, INC. (US) 2012-09-25 US disclosed
EP-2279732-A2 Compounds and compositions for delivering active agents Emisphere Technologies, Inc. (US) 2011-02-02 EP disclosed
US-20080255250-A1 Compounds and Compositions for Delivering Active Agents EMISPHERE TECHNOLOGIES, INC. (US) 2008-10-16 US disclosed
US-20080255250-A1 Compounds and Compositions for Delivering Active Agents EMISPHERE TECHNOLOGIES, INC. (US) 2008-10-16 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 (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-20080255250-A1 Compounds and Compositions for Delivering Active Agents SERPINB1, ELANE, MMP8 ATM 3575/4885TDP1 2710/4885L3MBTL1 3798/4885

“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.