SCHEMBL6323247

SCHEMBL6323247

CC(S)CNS(=O)(=O)c1ccc(C#N)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.58
▸ GRIA1 P42261 1/20 0.49
▸ GRIA2 P42262 1/20 0.49
▸ GRIA3 P42263 1/20 0.49
▸ GRIA4 P48058 1/20 0.49
▸ MMP1 P03956 3/20 0.47
▸ MMP2 P08253 3/20 0.47
▸ MMP3 P08254 3/20 0.47
▸ MMP7 P09237 3/20 0.47
▸ MMP9 P14780 3/20 0.47
▸ MMP13 P45452 3/20 0.47
▸ KDM1A O60341 1/20 0.47
▸ CA1 P00915 3/20 0.46
▸ CA2 P00918 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ GBA1 P04062 1/20 0.46
▸ LSS P48449 2/20 0.46
▸ TSHR P16473 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
SCHEMBL15899214 0.82 CYP19A1 (0.55) CYP19A1GRIA1GRIA2GRIA3GRIA4
SCHEMBL6323468 0.80 GBA1 (0.70) CYP19A1CA1CA2ALDH1A1GBA1
SCHEMBL6323694 0.79 CA1 (0.71) CYP19A1CA1CA2ALDH1A1GBA1
SCHEMBL6320964 0.79 CA1 (0.71) MMP1MMP2MMP9MMP13CA1
SCHEMBL6324078 0.79 SIGMAR1 (0.51) CYP19A1MMP1MMP2MMP3MMP7
SCHEMBL6326226 0.79 CA1 (0.53) CA1CA2ALDH1A1GBA1TSHR
SCHEMBL6329766 0.79 CA1 (0.73) CYP19A1MMP1MMP2MMP9MMP13
SCHEMBL6323680 0.78 GBA1 (0.57) GRIA4CA1CA2ALDH1A1GBA1
SCHEMBL4613568 0.78 CYP19A1 (0.67) CYP19A1KDM1AALDH1A1LSS
SCHEMBL6329695 0.78 ALDH1A1 (0.57) CA1CA2ALDH1A1GBA1TSHR

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-20050014840-A1 Thiol sulfonamide metalloprotease inhibitors PHARMACIA CORPORATION 2005-01-20 — — US disclosed
US-6747027-B1 SELECTIVELY INHIBITS IN VITRO ACTIVITY OF HUMAN MATRIX METALLOPROTEASE-13 OVER IN VITRO ACTIVITY OF HUMAN MATRIX METALLOPROTEASE-1 PHARMACIA CORPORATION 2004-06-08 — — 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-20050014840-A1 Thiol sulfonamide metalloprotease inhibitors MMP12, MMP13, MMP3 CYP19A1 2703/4885GRIA1 4193/4885GRIA2 4400/4885

“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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