SCHEMBL2746212

SCHEMBL2746212

COc1cc(N)ccc1CC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.62
TSHR P16473 2/20 0.62
MAPT P10636 2/20 0.62
MAPK1 P28482 1/20 0.62
HTT P42858 1/20 0.62
ALDH1A1 P00352 2/20 0.57
HSD17B10 Q99714 1/20 0.54
NFKB1 P19838 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NR1H4 Q96RI1 1/20 0.49
CYP19A1 P11511 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 1/20 0.45
CD274 Q9NZQ7 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
CYP3A4 P08684 1/20 0.43
CAMK2A Q9UQM7 1/20 0.43
AMY1A P0DUB6 1/20 0.41
CA5A P35218 1/20 0.41
KDM4C Q9H3R0 1/20 0.40

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
SCHEMBL1624350 0.85 GAA (0.61) GAATSHRMAPTMAPK1HTT
SCHEMBL14931999 0.83 GAA (0.59) GAATSHRMAPTMAPK1HTT
SCHEMBL19181005 0.82 GAA (0.57) GAATSHRMAPTMAPK1HTT
SCHEMBL30772170 0.82 GAA (0.57) GAATSHRMAPTMAPK1HTT
Hydrochloric Acid SCHEMBL30148629 0.81 GAA (0.56) GAATSHRMAPTMAPK1HTT
SCHEMBL1097902 0.81 HSD17B10 (0.75) GAAALDH1A1HSD17B10TDP1NR1H4
SCHEMBL12257910 0.81 HSD17B10 (0.56) GAATSHRMAPTALDH1A1HSD17B10
SCHEMBL30831943 0.81 HSD17B10 (0.75) GAAALDH1A1HSD17B10TDP1NR1H4
SCHEMBL17537956 0.81 GAA (0.70) GAATSHRMAPTHTTALDH1A1
SCHEMBL1099347 0.81 CAMK2A (0.64) GAATSHRMAPTALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021143923-A1 BORONIC ACID DERIVATIVES 首药控股(北京)股份有限公司 2021-07-22 WO disclosed
US-8178516-B2 Composition of 4-guanidinobenzoic acid HCl, a co-agent suitable for systemic administration solely via the oral route, antioxidants, vitamins, metabolites Sylvan Labs, LLC (US) 2012-05-15 US disclosed
US-20080234380-A1 Compositions and method for treatment of chronic inflammatory diseases SHAPIRO HOWARD K 2008-09-25 US disclosed
US-20050090553-A1 Compositions and method for treatment of chronic inflammatory diseases SECANT PHARMA, LLC 2005-04-28 US disclosed
EP-0759750-A4 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO HOWARD K (US) 1998-05-27 EP disclosed
EP-0759750-A1 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO, Howard, K. (US) 1997-03-05 EP disclosed
WO-1995031194-A1 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO HOWARD K (US) 1995-11-23 WO 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 (2 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-20050090553-A1 Compositions and method for treatment of chronic inflammatory diseases PCCA, HMGB1, PTGES GAA 1432/4885TSHR 4800/4885MAPT 2712/4885
US-20080234380-A1 Compositions and method for treatment of chronic inflammatory diseases HMGB1, PCCA, QSOX1 GAA 1423/4885TSHR 4720/4885MAPT 3087/4885

“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.