SCHEMBL6324311

SCHEMBL6324311

C[C@H](CC(=O)C=S)N(C)S(=O)(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 3/20 0.56
ADAMTS5 Q9UNA0 1/20 0.46
MMP2 P08253 10/20 0.45
MMP9 P14780 10/20 0.45
MMP14 P50281 7/20 0.45
MMP8 P22894 6/20 0.45
MMP1 P03956 6/20 0.45
MMP3 P08254 5/20 0.45
MMP13 P45452 5/20 0.45
ADAM17 P78536 2/20 0.45
MCL1 Q07820 3/20 0.44
MMP16 P51512 3/20 0.44
MMP12 P39900 2/20 0.43
BCL2L1 Q07817 2/20 0.41
NPC1 O15118 1/20 0.40
MTOR P42345 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL6324310 0.83 ADAMTS4 (0.57) ADAMTS4ADAMTS5MMP2MMP9MMP14
SCHEMBL6323686 0.79 ADAMTS4 (0.62) ADAMTS4ADAMTS5MMP2MMP9MMP14
SCHEMBL6323684 0.79 ADAMTS4 (0.62) ADAMTS4ADAMTS5MMP2MMP9MMP14
SCHEMBL6328876 0.78 CA2 (0.44)
SCHEMBL6325908 0.76 ADAMTS4 (0.58) ADAMTS4ADAMTS5MMP2MMP9MMP14
SCHEMBL6325911 0.76 ADAMTS4 (0.58) ADAMTS4ADAMTS5MMP2MMP9MMP14
SCHEMBL25525118 0.71 CCR5 (0.53) ADAMTS4
SCHEMBL3078556 0.69 MMP12 (0.47) ADAMTS4MMP2MMP9MMP8MMP3
SCHEMBL6323688 0.69 ADAMTS4 (0.56) ADAMTS4MMP2MMP9MMP14MMP8
SCHEMBL404336 0.68 ADAMTS4 (0.65) ADAMTS4MMP2MMP9MMP14MMP8

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 ADAMTS4 33/4885ADAMTS5 23/4885MMP2 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.