Sugi Predict

Sugi Predict / Compounds / SCHEMBL317130

SCHEMBL317130

SCHEMBL317130

C=CCC(C(=O)NO)c1ccccc1Sc1ccc(-c2ccc(OC)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 12/20 0.59
▸ MMP2 P08253 11/20 0.59
▸ MMP12 P39900 10/20 0.59
▸ MMP14 P50281 4/20 0.54
▸ MMP13 P45452 3/20 0.45
▸ MMP3 P08254 3/20 0.45
▸ MMP8 P22894 2/20 0.45
▸ MMP16 P51512 2/20 0.45
▸ MEN1 O00255 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MMP1 P03956 1/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ SLC6A9 P48067 1/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC7 Q8WUI4 2/20 0.37
▸ HDAC3 O15379 1/20 0.37

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
SCHEMBL315481 0.81 MMP2 (0.60) MMP9MMP2MMP12MMP14MMP13
SCHEMBL10049380 0.77 MMP2 (0.54) MMP9MMP2MMP12MMP14MMP13
SCHEMBL323934 0.73 MMP2 (0.67) MMP9MMP2MMP12MMP14MMP13
SCHEMBL8231858 0.72 MMP2 (0.60) MMP9MMP2MMP12MMP14MEN1
SCHEMBL9858501 0.72 CYP2C19 (0.55) MMP9MMP2MMP12MEN1KMT2A
SCHEMBL316614 0.71 MMP9 (0.62) MMP9MMP2MMP12MMP14MMP13
SCHEMBL315491 0.71 MMP2 (1.00) MMP9MMP2MMP12MMP14MMP13
SCHEMBL8228264 0.69 MMP2 (0.59) MMP9MMP2MMP12MMP14MMP13
SCHEMBL10049370 0.67 MMP2 (0.49) MMP9MMP2MMP12MMP14MMP13
SCHEMBL11430852 0.67 MMP2 (0.60) MMP9MMP2MMP12MMP14MEN1

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 9 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 claimed
US-20090239829-A1 THIOARYL SUBSTITUTED INHIBITORS OF ZINC PROTEASES AND THEIR USE BRACCO IMAGING SPA (IT) 2009-09-24 — — US 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
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 MMP9 8/4885MMP2 3/4885MMP12 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.