SCHEMBL3655237

SCHEMBL3655237

CCOC(=O)C(C(=O)O)c1cccc(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.54
CTSA P10619 1/20 0.46
ALDH1A1 P00352 4/20 0.43
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP19A1 P11511 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 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
SCHEMBL290364 0.92 MMP8 (0.54) MMP8CTSAALDH1A1MAPTNPSR1
SCHEMBL29824513 0.92 MMP8 (0.54) MMP8CTSAALDH1A1MAPTNPSR1
SCHEMBL29841550 0.88 MMP8 (0.54) MMP8CTSAALDH1A1MAPTHPGD
SCHEMBL14254979 0.88 MMP8 (0.54) MMP8CTSAALDH1A1MAPTHPGD
SCHEMBL27758476 0.87 MMP8 (0.49) MMP8CTSAALDH1A1MAPTNPSR1
SCHEMBL4162223 0.85 MMP8 (0.48) MMP8CTSAALDH1A1MAPTNPSR1
SCHEMBL22242513 0.84 MMP8 (0.47) MMP8CTSAALDH1A1MAPTNPSR1
SCHEMBL290365 0.83 ALDH1A1 (0.43) MMP8CTSAALDH1A1MAPTNPSR1
SCHEMBL1275691 0.82 MMP8 (0.70) MMP8CA12CA1CA2CA9
SCHEMBL5856096 0.82 SRC (0.58) CTSAALDH1A1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102438975-A Substituted aromatic compounds and pharmaceutical uses thereof PROMETIC BIOSCIENCES INC 2012-05-02 CN disclosed
EP-2190833-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS Novartis Ag (CH) 2010-06-02 EP disclosed
WO-2009024615-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2009-02-26 WO disclosed
US-20090054427-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS BRIARD EMMANUELLE 2009-02-26 US disclosed
US-3985779-A ANTIINFLAMMATORY AND ANALGESIC ACTIVITIES EISAI CO., LTD. (JA) 1976-10-12 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-20090054427-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS BACE2, BACE1, APP MMP8 1876/4885CTSA 170/4885ALDH1A1 2720/4885

“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.