SCHEMBL10049383

SCHEMBL10049383

O=C(O)CC(C(=O)O)c1ccccc1[S+]([O-])c1ccc(-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.39
▸ MMP2 P08253 4/20 0.38
▸ MMP12 P39900 4/20 0.38
▸ MMP9 P14780 4/20 0.38
▸ MMP14 P50281 3/20 0.38
▸ MMP13 P45452 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ FFAR1 O14842 3/20 0.37
▸ ADAMTS4 O75173 2/20 0.36
▸ ABCC4 O15439 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ MMP7 P09237 1/20 0.35

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
SCHEMBL10049384 0.87 MMP9 (0.47) TSHRCYP1A2MMP2MMP12MMP9
SCHEMBL8231555 0.71 MMP2 (0.64) TSHRCYP1A2MMP2MMP12MMP9
SCHEMBL28306756 0.71 L3MBTL1 (0.59) TSHRCYP1A2MMP2MMP12MMP9
SCHEMBL10049375 0.70 MMP12 (0.50) TSHRCYP1A2KDM4EMMP2MMP12
SCHEMBL8222695 0.69 MMP12 (0.61) TSHRCYP1A2KDM4EMMP2MMP12
SCHEMBL9231329 0.69 MMP2 (0.43) CYP1A2KDM4EMMP2MMP12MMP9
SCHEMBL372276 0.66 CYP1A2 (0.57) TSHRCYP1A2KDM4EALDH1A1HSD17B10
SCHEMBL10692703 0.66 CYP1A2 (0.57) TSHRCYP1A2KDM4EALDH1A1HSD17B10
SCHEMBL2456546 0.66 MEN1 (0.58) TSHRCYP1A2KDM4EALDH1A1HSD17B10
SCHEMBL25816145 0.66 CYP1A2 (0.57) TSHRCYP1A2KDM4EALDH1A1HSD17B10

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 2 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-20090239829-A1 THIOARYL SUBSTITUTED INHIBITORS OF ZINC PROTEASES AND THEIR USE BRACCO IMAGING SPA (IT) 2009-09-24 — — US 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 TSHR 735/4885CYP1A2 468/4885KDM4E 2028/4885

“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.

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