SCHEMBL12679754

SCHEMBL12679754

CC(CC(=O)O)NC(=O)c1cc(O)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.48
CA12 O43570 4/20 0.47
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA7 P43166 4/20 0.47
CA9 Q16790 4/20 0.47
CA14 Q9ULX7 4/20 0.47
PTGS2 P35354 1/20 0.47
NAAA Q02083 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
EGFR P00533 2/20 0.41
GAA P10253 1/20 0.41
P2RX1 P51575 1/20 0.40
EGLN2 Q96KS0 3/20 0.39

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
SCHEMBL1115050 0.87 CSNK2A1 (0.51) ALOX5MEN1KMT2AKDM4ELMNA
SCHEMBL1114951 0.86 MEN1 (0.55) ALOX5MEN1KMT2AKDM4ELMNA
SCHEMBL1114777 0.85 KCNMA1 (0.54) ALOX5CA1CA2MEN1KMT2A
SCHEMBL1114934 0.85 GAA (0.52) ALOX5MEN1KMT2AKDM4EALDH1A1
SCHEMBL1114965 0.81 KDM4E (0.62) CA12CA1CA2CA7CA9
SCHEMBL19074375 0.80 ALOX5 (0.70) ALOX5CA12CA1CA2CA7
SCHEMBL1114977 0.80 KMT2A (0.68) MEN1KMT2ALMNAALDH1A1HPGD
SCHEMBL10783781 0.79 ALOX5 (0.54) ALOX5CA12CA1CA2CA7
SCHEMBL1115005 0.77 KDM4E (0.50) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL8896710 0.77 FOLH1 (0.53) ALOX5CA1CA2KMT2AKDM4E

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-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
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 ALOX5 571/4885CA12 469/4885CA1 1393/4885

“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.