SCHEMBL3901742

SCHEMBL3901742

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
POLB P06746 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 1/20 0.40
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 1/20 0.38
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
MME P08473 1/20 0.37
CYP1A2 P05177 1/20 0.37
ALOX5 P09917 1/20 0.36
MAPT P10636 1/20 0.36
CACNA1B Q00975 1/20 0.36

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
SCHEMBL28485962 0.86 L3MBTL1 (0.45) L3MBTL1ALDH1A1GAAPOLBTDP1
SCHEMBL27663392 0.86 MAPT (0.45) L3MBTL1ALDH1A1GAAPOLBTDP1
SCHEMBL8011431 0.86 MAPT (0.45) L3MBTL1ALDH1A1GAAPOLBTDP1
SCHEMBL6801077 0.85 POLB (0.43) L3MBTL1ALDH1A1GAAPOLBTDP1
SCHEMBL28857323 0.84 CYP2C9 (0.44) L3MBTL1ALDH1A1GAAPOLBTDP1
SCHEMBL5878267 0.83 HTR2A (0.39) ALDH1A1KMT2ACTSSCTSKSMN1; SMN2
SCHEMBL28770977 0.83 CYP1A2 (0.38) ALDH1A1KMT2ACTSSCTSKSMN1; SMN2
SCHEMBL3907689 0.82 SMN1; SMN2 (0.43) L3MBTL1ALDH1A1KMT2ASMN1; SMN2MMP9
SCHEMBL14472940 0.81 CYP2C19 (0.44) ALDH1A1KMT2ACTSSCTSKSMN1; SMN2
SCHEMBL2878286 0.80 CTSS (0.36) ALDH1A1POLBKMT2ACTSSCTSK

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 L3MBTL1 2956/4885ALDH1A1 2636/4885GAA 1135/4885

“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.