SCHEMBL315607

SCHEMBL315607

COc1ccc(Oc2ccc(Sc3ccccc3C(=O)O)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MMP2 P08253 4/20 0.54
MMP9 P14780 4/20 0.54
MMP12 P39900 4/20 0.54
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HTT P42858 1/20 0.50
SLC6A9 P48067 1/20 0.50
LTA4H P09960 1/20 0.49
MMP14 P50281 1/20 0.48
USP2 O75604 1/20 0.48
TP53 P04637 1/20 0.48
SIRT1 Q96EB6 1/20 0.47
NSD2 O96028 1/20 0.47
POLB P06746 3/20 0.46
KDM4E B2RXH2 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL315581 0.95 NPC1 (0.59) NPC1RAB9ASMN1; SMN2MMP2MMP9
SCHEMBL315528 0.91 MMP2 (0.65) NPC1RAB9ASMN1; SMN2MMP2MMP9
SCHEMBL10383786 0.89 NPC1 (0.53) NPC1RAB9ASMN1; SMN2MMP2MMP9
SCHEMBL315789 0.85 MMP2 (0.56) MMP2MMP9MMP12MEN1KMT2A
SCHEMBL10049366 0.82 MMP2 (0.49) NPC1RAB9AMMP2MMP9MMP12
SCHEMBL7969385 0.82 NPC1 (0.51) NPC1RAB9ASMN1; SMN2MMP2MMP9
SCHEMBL21248523 0.82 SIRT1 (0.68) NPC1RAB9ASMN1; SMN2MMP2MMP9
SCHEMBL315196 0.80 MMP2 (0.57) MMP2MMP9MMP12MEN1KMT2A
SCHEMBL5030912 0.79 EDNRA (0.55) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL316220 0.79 MMP2 (0.57) SMN1; SMN2MMP2MMP9MMP12MEN1

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 13 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-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
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
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 NPC1 607/4885RAB9A 1388/4885SMN1; SMN2 4027/4885

“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.