SCHEMBL316419

SCHEMBL316419

COc1ccc(Oc2ccc([S+]([O-])c3ccccc3C(=O)O)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.46
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46
PNLIP P16233 1/20 0.43
LMNA P02545 1/20 0.43
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
MMP8 P22894 2/20 0.42
MMP12 P39900 2/20 0.42
MMP13 P45452 2/20 0.42
MMP14 P50281 2/20 0.42
MMP16 P51512 2/20 0.42
MCL1 Q07820 1/20 0.42
MMP3 P08254 1/20 0.42
KMT2A Q03164 6/20 0.42
MEN1 O00255 5/20 0.42
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41

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
SCHEMBL316077 0.85 MMP13 (0.57) LTA4HPNLIPLMNAMMP2MMP9
SCHEMBL506130 0.80 ALDH1A1 (0.50) MAPTALDH1A1SMN1; SMN2CA1CA2
SCHEMBL2073567 0.75 KMT2A (0.42) LMNAMCL1KMT2AMEN1MAPT
SCHEMBL20955819 0.75 LTA4H (0.48) LTA4HLMNAKMT2AMEN1MAPT
SCHEMBL10966807 0.75 CTNNB1 (0.51) USP2TP53LMNAKMT2AMEN1
SCHEMBL29587251 0.75 LTA4H (0.48) LTA4HLMNAKMT2AMEN1MAPT
SCHEMBL2573164 0.75 ALDH1A1 (0.56) MAPTALDH1A1SMN1; SMN2CA1CA2
SCHEMBL30828909 0.75 ALDH1A1 (0.56) MAPTALDH1A1SMN1; SMN2CA1CA2
SCHEMBL9133437 0.73 ALDH1A1 (0.54) MAPTALDH1A1SMN1; SMN2CA1CA2
SCHEMBL9132688 0.73 ALDH1A1 (0.54) MAPTALDH1A1SMN1; SMN2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2009545556-A 2009-12-24 JP claimed
US-20090239829-A1 THIOARYL SUBSTITUTED INHIBITORS OF ZINC PROTEASES AND THEIR USE BRACCO IMAGING SPA (IT) 2009-09-24 US claimed
EP-2059500-A2 INHIBITORS OF ZINC PROTEASES THIOARYL SUBSTITUTED AND THEIR USE Bracco Imaging S.p.A (IT) 2009-05-20 EP claimed
WO-2008015139-A2 INHIBITORS OF ZINC PROTEASES THIOARYL SUBSTITUTED AND THEIR USE BRACCO IMAGING SPA (IT) 2008-02-07 WO claimed
US-8093386-B2 Thioaryl substituted inhibitors of zinc proteases and their use BRACCO IMAGING S.P.A (IT) 2012-01-10 US disclosed
US-8093386-B2 Thioaryl substituted inhibitors of zinc proteases and their use BRACCO IMAGING S.P.A (IT) 2012-01-10 US disclosed
US-20090239829-A1 THIOARYL SUBSTITUTED INHIBITORS OF ZINC PROTEASES AND THEIR USE BRACCO IMAGING SPA (IT) 2009-09-24 US disclosed
US-20090239829-A1 THIOARYL SUBSTITUTED INHIBITORS OF ZINC PROTEASES AND THEIR USE BRACCO IMAGING SPA (IT) 2009-09-24 US disclosed
EP-2059500-A2 INHIBITORS OF ZINC PROTEASES THIOARYL SUBSTITUTED AND THEIR USE Bracco Imaging S.p.A (IT) 2009-05-20 EP disclosed
WO-2008015139-A2 INHIBITORS OF ZINC PROTEASES THIOARYL SUBSTITUTED AND THEIR USE BRACCO IMAGING SPA (IT) 2008-02-07 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-20090239829-A1 THIOARYL SUBSTITUTED INHIBITORS OF ZINC PROTEASES AND THEIR USE SERPINB1, ZFX, MMP2 LTA4H 709/4885USP2 982/4885TP53 991/4885

“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.