SCHEMBL8229735

SCHEMBL8229735

O=C(O)Cc1ccccc1Sc1ccc(Br)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.72
CYP2C19 P33261 3/20 0.72
HPGD P15428 2/20 0.72
MMP2 P08253 3/20 0.62
MMP9 P14780 3/20 0.62
MMP12 P39900 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.56
CYP2D6 P10635 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
LMNA P02545 3/20 0.50
MMP14 P50281 1/20 0.48
ABCB11 O95342 1/20 0.48
PTGS1 P23219 1/20 0.48
ADORA1 P30542 1/20 0.48
PTGS2 P35354 1/20 0.48
AKR1B1 P15121 1/20 0.46
TDP1 Q9NUW8 1/20 0.45

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 0.88 HPGD (0.78) CYP2C9CYP2C19HPGDMMP2MMP9
SCHEMBL6933325 0.85 CYP2C9 (0.74) CYP2C9CYP2C19HPGDMMP2MMP9
SCHEMBL8228112 0.85 MMP2 (0.76) CYP2C9CYP2C19HPGDMMP2MMP9
SCHEMBL11006463 0.84 CYP2C9 (0.60) CYP2C9CYP2C19HPGDMMP2MMP9
SCHEMBL3640100 0.84 CYP2C9 (0.72) CYP2C9CYP2C19HPGDMMP2MMP9
SCHEMBL10049356 0.84 CYP2C9 (0.72) CYP2C9CYP2C19HPGDMMP2MMP9
SCHEMBL27971821 0.84 CYP2C9 (0.72) CYP2C9CYP2C19HPGDMMP2MMP9
SCHEMBL4734978 0.84 CYP2C9 (0.72) CYP2C9CYP2C19HPGDMMP2MMP9
SCHEMBL2562284 0.83 CYP2C9 (0.54) CYP2C9CYP2C19HPGDMMP2MMP9
SCHEMBL4438683 0.82 CYP2C9 (0.69) CYP2C9CYP2C19HPGDMMP2MMP9

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 CYP2C9 472/4885CYP2C19 353/4885HPGD 643/4885

“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.