SCHEMBL6322271

SCHEMBL6322271

CCCCCN(CC(C)S)S(=O)(=O)c1ccc(OCCCC)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 5/20 0.59
MMP1 P03956 3/20 0.49
MMP2 P08253 2/20 0.49
MMP13 P45452 2/20 0.49
MMP14 P50281 2/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
TSHR P16473 1/20 0.48
CA7 P43166 1/20 0.48
ADAM17 P78536 1/20 0.47
CNR2 P34972 2/20 0.46
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL6324386 0.88 MMP3 (0.60) MMP3MMP1MMP2MMP13MMP14
SCHEMBL6323499 0.86 MMP13 (0.52) MMP3MMP1MMP2MMP13MMP9
SCHEMBL6324147 0.84 MMP3 (0.48) MMP3TSHRHTR2AHTR2CLMNA
SCHEMBL6328936 0.83 TSHR (0.50) MMP3TSHRHTR2AHTR2CLMNA
SCHEMBL6323360 0.83 ADAM17 (0.64) MMP3MMP1MMP2MMP13MMP14
SCHEMBL6774290 0.82 MMP3 (0.56) MMP3MMP1MMP2MMP13MMP14
SCHEMBL6331601 0.81 ALDH1A1 (0.54) MMP3CA12CA1CA2CA9
SCHEMBL6325753 0.77 ADAM17 (0.67) MMP3MMP1MMP2MMP13MMP14
SCHEMBL6324383 0.77 MMP3 (0.50) MMP3MMP1MMP2MMP13MMP14
SCHEMBL6322266 0.77 CA12 (0.48) MMP3MMP1MMP2MMP13MMP14

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 MMP3 3/4885MMP1 13/4885MMP2 26/4885

“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.