SCHEMBL3900969

SCHEMBL3900969

NC(=O)CC(C(=O)O)c1ccc(Br)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
GAA P10253 2/20 0.54
HTT P42858 1/20 0.54
LMNA P02545 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 3/20 0.44
CPN1 P15169 1/20 0.44
CPB2 Q96IY4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 2/20 0.42
ALOX5 P09917 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP2C19 P33261 1/20 0.41
HTR2A P28223 1/20 0.40
EPHX1 P07099 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
SCHEMBL9468277 0.85 KMT2A (0.61) KMT2AGAAL3MBTL1ALDH1A1POLB
SCHEMBL3906406 0.83 GAA (0.55) KMT2AGAAHTTLMNAL3MBTL1
SCHEMBL1520271 0.82 GAA (0.54) KMT2AGAAHTTLMNAALDH1A1
SCHEMBL30179988 0.82 KMT2A (0.48) KMT2AGAAHTTLMNACPN1
SCHEMBL5370872 0.81 KMT2A (0.53) KMT2AGAAL3MBTL1ALDH1A1POLB
SCHEMBL31135530 0.79 KMT2A (0.54) KMT2AGAAL3MBTL1ALDH1A1POLB
SCHEMBL20140488 0.79 KMT2A (0.54) KMT2AGAAL3MBTL1ALDH1A1POLB
SCHEMBL11084494 0.79 ALOX5 (0.46) KMT2AALDH1A1MEN1ALOX5SMN1; SMN2
SCHEMBL3911497 0.78 MMP9 (0.52) KMT2AGAALMNAL3MBTL1ALDH1A1
SCHEMBL25377657 0.77 KMT2A (0.53) KMT2AGAALMNAL3MBTL1ALDH1A1

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 KMT2A 4010/4885GAA 1135/4885HTT 4566/4885

“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.