SCHEMBL8228112

SCHEMBL8228112

O=C(O)Cc1ccccc1Sc1ccc(-c2ccccc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.76
MMP9 P14780 7/20 0.76
MMP12 P39900 7/20 0.76
CYP2C9 P11712 2/20 0.74
CYP2C19 P33261 2/20 0.74
HPGD P15428 1/20 0.74
MMP14 P50281 2/20 0.56
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PTGS1 P23219 2/20 0.50
ABCC4 O15439 1/20 0.50
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
MMP1 P03956 1/20 0.49
MMP3 P08254 1/20 0.49
MMP8 P22894 1/20 0.49
MMP13 P45452 1/20 0.49
MMP16 P51512 1/20 0.49
AKR1B1 P15121 1/20 0.47

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
SCHEMBL3765157 0.90 HPGD (0.78) MMP2MMP9MMP12CYP2C9CYP2C19
SCHEMBL315140 0.87 MMP2 (1.00) MMP2MMP9MMP12CYP2C9CYP2C19
SCHEMBL6933325 0.87 CYP2C9 (0.74) MMP2MMP9MMP12CYP2C9CYP2C19
SCHEMBL4734978 0.85 CYP2C9 (0.72) MMP2MMP9MMP12CYP2C9CYP2C19
SCHEMBL3640100 0.85 CYP2C9 (0.72) MMP2MMP9MMP12CYP2C9CYP2C19
SCHEMBL27971821 0.85 CYP2C9 (0.72) MMP2MMP9MMP12CYP2C9CYP2C19
SCHEMBL8229735 0.85 CYP2C9 (0.72) MMP2MMP9MMP12CYP2C9CYP2C19
SCHEMBL10049356 0.85 CYP2C9 (0.72) MMP2MMP9MMP12CYP2C9CYP2C19
SCHEMBL8230245 0.84 MMP2 (0.76) MMP2MMP9MMP12CYP2C9CYP2C19
SCHEMBL4438683 0.84 CYP2C9 (0.69) MMP2MMP9MMP12CYP2C9CYP2C19

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.