SCHEMBL7090184

SCHEMBL7090184

N[C@@H](CC(=O)O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
PPARG P37231 4/20 0.47
PPARA Q07869 1/20 0.47
KDM4E B2RXH2 1/20 0.46
EPOR P19235 1/20 0.45
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
MAPK14 Q16539 1/20 0.43
FFAR1 O14842 1/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
SLC6A9 P48067 1/20 0.43
PNMT P11086 1/20 0.43
EPHX1 P07099 1/20 0.42

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
SCHEMBL6831085 1.00 KMT2A (0.56) KMT2ASMN1; SMN2PPARGPPARAKDM4E
SCHEMBL7090175 1.00 KMT2A (0.56) KMT2ASMN1; SMN2PPARGPPARAKDM4E
Hydrochloric Acid SCHEMBL7090826 0.99 KMT2A (0.55) KMT2ASMN1; SMN2PPARGPPARAKDM4E
Hydrochloric Acid SCHEMBL7090645 0.99 KMT2A (0.55) KMT2ASMN1; SMN2PPARGPPARAKDM4E
SCHEMBL31295268 0.88 PNMT (0.54) KMT2ASMN1; SMN2MEN1POLBSLC6A9
SCHEMBL30412972 0.88 PNMT (0.54) KMT2ASMN1; SMN2MEN1POLBSLC6A9
SCHEMBL382119 0.88 PNMT (0.54) KMT2ASMN1; SMN2MEN1POLBSLC6A9
Hydrochloric Acid SCHEMBL21817757 0.86 PNMT (0.53) KMT2ASMN1; SMN2MEN1POLBSLC6A9
Hydrochloric Acid SCHEMBL21817760 0.86 PNMT (0.53) KMT2ASMN1; SMN2MEN1POLBSLC6A9
SCHEMBL7087851 0.85 KMT2A (0.70) KMT2ASMN1; SMN2KDM4EEPORFNTA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501429-B2 Pyrimidine compounds as anti-ictogenic and/or anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON (CA) 2009-03-10 US disclosed
US-20030194375-A1 Administering 3-aminopropionic acid derivative as anticonvulsant QUEEN'S UNIVERSITY AT KINGSTON AND NEUROCHEM, INC. 2003-10-16 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-20030194375-A1 Administering 3-aminopropionic acid derivative as anticonvulsant SLC1A2, SLC1A1, SLC1A3 KMT2A 1066/4885SMN1; SMN2 3205/4885PPARG 2404/4885

“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.