SCHEMBL6323686

SCHEMBL6323686

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

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 2/20 0.62
ADAMTS5 Q9UNA0 1/20 0.50
MMP2 P08253 7/20 0.49
MMP9 P14780 7/20 0.49
MMP8 P22894 6/20 0.49
MMP13 P45452 5/20 0.49
MMP1 P03956 5/20 0.49
MMP14 P50281 4/20 0.49
MMP3 P08254 3/20 0.49
ADAM17 P78536 1/20 0.49
MCL1 Q07820 3/20 0.48
MMP16 P51512 2/20 0.47
MMP12 P39900 3/20 0.47
MMP7 P09237 2/20 0.46
PKM P14618 1/20 0.45
RORC P51449 1/20 0.44
BCL2L1 Q07817 2/20 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
SCHEMBL6323684 1.00 ADAMTS4 (0.62) ADAMTS4ADAMTS5MMP2MMP9MMP8
SCHEMBL6325911 0.84 ADAMTS4 (0.58) ADAMTS4ADAMTS5MMP2MMP9MMP8
SCHEMBL6325908 0.84 ADAMTS4 (0.58) ADAMTS4ADAMTS5MMP2MMP9MMP8
SCHEMBL6324814 0.84 LMNA (0.60) MMP2MMP9MMP8MMP13MMP1
SCHEMBL6324817 0.84 LMNA (0.60) MMP2MMP9MMP8MMP13MMP1
SCHEMBL6324310 0.82 ADAMTS4 (0.57) ADAMTS4ADAMTS5MMP2MMP9MMP8
SCHEMBL6321475 0.82 ESR1 (0.49) ADAMTS4
SCHEMBL6321479 0.82 ESR1 (0.49) ADAMTS4
SCHEMBL6325881 0.81 PSEN1 (0.52) ADAMTS4MMP8MMP13MMP1MCL1
SCHEMBL6325883 0.81 PSEN1 (0.52) ADAMTS4MMP8MMP13MMP1MCL1

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.