SCHEMBL8230527

SCHEMBL8230527

CSc1ccc(-c2ccc(Sc3ccccc3CC(=O)NOCc3ccccc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 5/20 0.55
▸ MMP9 P14780 5/20 0.55
▸ MMP12 P39900 5/20 0.55
▸ MMP14 P50281 1/20 0.55
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ EGFR P00533 2/20 0.42
▸ CYP2D6 P10635 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ GSTP1 P09211 1/20 0.40
▸ GSTM2 P28161 1/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ L3MBTL1 Q9Y468 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
SCHEMBL8230239 0.93 MMP2 (0.56) MMP2MMP9MMP12MMP14CYP2C9
SCHEMBL8223347 0.89 MMP2 (0.71) MMP2MMP9MMP12MMP14CYP2C9
SCHEMBL8230537 0.89 MMP2 (0.52) MMP2MMP9MMP12MMP14CYP2C9
SCHEMBL10049361 0.87 MMP2 (0.49) MMP2MMP9MMP12MMP14CYP2C9
SCHEMBL8228566 0.86 MMP2 (0.48) MMP2MMP9MMP12MMP14CYP2C9
SCHEMBL10049364 0.86 MMP2 (0.49) MMP2MMP9MMP12MMP14CYP2C9
SCHEMBL8228567 0.85 MMP2 (0.49) MMP2MMP9MMP12MMP14CYP2C9
SCHEMBL8223093 0.83 MMP2 (0.61) MMP2MMP9MMP12MMP14CYP2C9
SCHEMBL315946 0.81 MMP2 (0.75) MMP2MMP9MMP12MMP14CYP2C9
SCHEMBL8223101 0.77 HPGD (0.41) MMP2MMP9MMP12MMP14CYP2C9

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
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
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 MMP2 3/4885MMP9 8/4885MMP12 37/4885

“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.

Send feedback