SCHEMBL6320964

SCHEMBL6320964

CC(S)CNS(=O)(=O)c1ccc(I)cc1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.71
CA2 P00918 7/20 0.71
ALDH1A1 P00352 5/20 0.50
SIGMAR1 Q99720 4/20 0.50
GBA1 P04062 1/20 0.50
TSHR P16473 1/20 0.49
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL3133953 0.86 CA1 (0.75) CA1CA2ALDH1A1SIGMAR1GBA1
SCHEMBL6323468 0.84 GBA1 (0.70) CA1CA2ALDH1A1GBA1TSHR
SCHEMBL6329766 0.83 CA1 (0.73) CA1CA2ALDH1A1GBA1TSHR
SCHEMBL6323694 0.83 CA1 (0.71) CA1CA2ALDH1A1GBA1TSHR
SCHEMBL6326226 0.83 CA1 (0.53) CA1CA2ALDH1A1GBA1TSHR
SCHEMBL6324078 0.83 SIGMAR1 (0.51) CA1CA2ALDH1A1SIGMAR1GBA1
SCHEMBL6323680 0.82 GBA1 (0.57) CA1CA2ALDH1A1GBA1
SCHEMBL6329695 0.81 ALDH1A1 (0.57) CA1CA2ALDH1A1GBA1TSHR
SCHEMBL6329622 0.80 ALDH1A1 (0.61) CA1CA2ALDH1A1MMP1MMP2
SCHEMBL6328744 0.80 CA1 (0.55) 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 CA1 196/4885CA2 492/4885ALDH1A1 986/4885

“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.