SCHEMBL7090778

SCHEMBL7090778

Cc1ccc(Oc2cccc([C@@H](N)CC(=O)O)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
FNTA P49354 4/20 0.51
FNTB P49356 4/20 0.51
PTGS1 P23219 1/20 0.50
FFAR4 Q5NUL3 1/20 0.48
FFAR1 O14842 4/20 0.47
ALOX5 P09917 1/20 0.47
MEN1 O00255 1/20 0.46
CYP2D6 P10635 1/20 0.46
LPAR1 Q92633 1/20 0.44
LPAR3 Q9UBY5 1/20 0.44
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LTA4H P09960 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
SCHEMBL7086705 1.00 KMT2A (0.59) KMT2ASMN1; SMN2FNTAFNTBPTGS1
SCHEMBL6927080 1.00 KMT2A (0.59) KMT2ASMN1; SMN2FNTAFNTBPTGS1
Hydrochloric Acid SCHEMBL7089814 0.99 KMT2A (0.57) KMT2ASMN1; SMN2FNTAFNTBPTGS1
Hydrochloric Acid SCHEMBL20546770 0.99 KMT2A (0.57) KMT2ASMN1; SMN2FNTAFNTBPTGS1
Hydrochloric Acid SCHEMBL7091447 0.99 KMT2A (0.57) KMT2ASMN1; SMN2FNTAFNTBPTGS1
SCHEMBL7087851 0.90 KMT2A (0.70) KMT2ASMN1; SMN2FNTAFNTBPTGS1
SCHEMBL7088219 0.90 KMT2A (0.70) KMT2ASMN1; SMN2FNTAFNTBPTGS1
SCHEMBL6922512 0.90 KMT2A (0.70) KMT2ASMN1; SMN2FNTAFNTBPTGS1
Hydrochloric Acid SCHEMBL20546996 0.89 KMT2A (0.59) KMT2ASMN1; SMN2PTGS1FFAR1ALOX5
Hydrochloric Acid SCHEMBL20546995 0.89 KMT2A (0.59) KMT2ASMN1; SMN2PTGS1FFAR1ALOX5

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
EP-1386166-A2 ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2004-02-04 EP claimed
US-20030194375-A1 Administering 3-aminopropionic acid derivative as anticonvulsant QUEEN'S UNIVERSITY AT KINGSTON AND NEUROCHEM, INC. 2003-10-16 US claimed
WO-2002073208-A2 ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2002-09-19 WO claimed
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 3205/4885FNTA 601/4885

“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.