SCHEMBL4970059

SCHEMBL4970059

Cc1cc(C)c(O)c(NC(=O)[C@@H](Cl)CC(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
MAPK1 P28482 1/20 0.41
PYGL P06737 1/20 0.35
ANPEP P15144 1/20 0.35
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34
HSD17B2 P37059 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
MET P08581 1/20 0.33
TSHR P16473 1/20 0.33
GPR35 Q9HC97 1/20 0.33

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
SCHEMBL4970068 1.00 GAA (0.41) GAAMAPK1PYGLANPEPALDH1A1
SCHEMBL4969032 0.79 GAA (0.41) GAAPYGLALDH1A1SMN1; SMN2HTT
SCHEMBL4969873 0.77 GAA (0.43) GAAMAPK1ALDH1A1L3MBTL1HSD17B2
SCHEMBL4968427 0.75 GAA (0.41) GAAPYGLALDH1A1HTTHSD17B2
SCHEMBL4971218 0.75 GAA (0.41) GAAPYGLALDH1A1HTTHSD17B2
SCHEMBL4968432 0.75 GAA (0.41) GAAPYGLALDH1A1HTTHSD17B2
SCHEMBL4970638 0.74 GAA (0.43) GAAALDH1A1SMN1; SMN2HTTHSD17B2
SCHEMBL4969144 0.73 GAA (0.49) GAAALDH1A1SMN1; SMN2HTTNPC1
SCHEMBL12919808 0.72 ALDH1A1 (0.52) GAAALDH1A1SMN1; SMN2HTTHSD17B2
SCHEMBL4967512 0.72 ALDH1A1 (0.63) GAAMAPK1ALDH1A1SMN1; SMN2HTT

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
EP-1985297-A1 CARBOXYLIC ACID COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2008-10-29 EP disclosed
US-20070197512-A1 Carboxylic Acid Compounds and Use Thereof JAPAN TOBACCO INC. (JP) 2007-08-23 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-20070197512-A1 Carboxylic Acid Compounds and Use Thereof GLS, SLC10A1, SOAT1 GAA 783/4885MAPK1 1189/4885PYGL 908/4885

“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.