SCHEMBL3907680

SCHEMBL3907680

CC(=O)c1cccc(-c2ccc(C(CC(N)=O)C(=O)O)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
HTT P42858 1/20 0.45
LMNA P02545 2/20 0.44
HDAC2 Q92769 1/20 0.44
AKR1C3 P42330 2/20 0.44
AKR1C2 P52895 2/20 0.44
KLKB1 P03952 1/20 0.43
F7 P08709 1/20 0.43
PTGS2 P35354 1/20 0.42
DHFR P00374 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
TDP2 O95551 1/20 0.41
ADAMTS4 O75173 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
PGGT1B P53609 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
SCHEMBL3910097 0.86 GAA (0.51) GAAHTTLMNAMAPTSMN1; SMN2
SCHEMBL3906738 0.84 ITGB3 (0.44) GAALMNAHDAC2AKR1C3AKR1C2
SCHEMBL407605 0.74 KMO (0.67) GAALMNAHDAC2MAPTSMN1; SMN2
SCHEMBL29446517 0.74 KMO (0.67) GAALMNAHDAC2MAPTSMN1; SMN2
SCHEMBL2586835 0.74 KMO (0.59) GAALMNAHDAC2DHFRMAPT
SCHEMBL3910474 0.73 GAA (0.60) GAAHTTLMNAAKR1C3AKR1C2
SCHEMBL8015817 0.73 CPN1 (0.53) GAAHTTLMNASMN1; SMN2
SCHEMBL1520271 0.73 GAA (0.54) GAAHTTLMNASMN1; SMN2
SCHEMBL10389377 0.73 MAPT (0.69) GAALMNAHDAC2DHFRMAPT
SCHEMBL10389918 0.72 MAP4K4 (0.59) GAALMNAHDAC2DHFRMAPT

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-7476759-B2 e.g. 4-Amino-3-(4'-cyano-1,1'-biphenyl-4-yl)-4-oxobutanoic acid; antiinflammatory , anticarcinogenic, antiasthmatic agent; autoimmune disorder; osteoarthritis, rubella, Alzheimer's, Parkinson's diseases, epilepsy, osteoporosis GLAXO GROUP LIMITED (GB) 2009-01-13 US disclosed
US-20060235074-A1 Matrix metalloproteinase inhibitors GLAXO GROUP LIMITED (GB) 2006-10-19 US disclosed
EP-1654218-A2 MATRIX METALLOPROTEINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2006-05-10 EP disclosed
WO-2005016868-A2 MATRIX METALLOPROTEINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-02-24 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 (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-20060235074-A1 Matrix metalloproteinase inhibitors MMP13, MMP9, MMP24 GAA 1135/4885HTT 4566/4885LMNA 3007/4885

“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.