SCHEMBL6322302

SCHEMBL6322302

C[C@H](CO)NS(=O)(=O)c1ccc(C2=CC=CCC2=S)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 2/20 0.43
IKBKB O14920 2/20 0.42
CHUK O15111 2/20 0.42
MMP2 P08253 7/20 0.38
MMP1 P03956 6/20 0.38
MMP3 P08254 6/20 0.38
MMP7 P09237 6/20 0.38
MMP9 P14780 6/20 0.38
MMP13 P45452 6/20 0.38
ADAMTS4 O75173 3/20 0.38
ALDH1A1 P00352 2/20 0.37
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
TSHR P16473 1/20 0.37
MMP14 P50281 1/20 0.36

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
SCHEMBL6769197 0.77 ADAMTS4 (0.36) MMP1MMP9MMP13ADAMTS4ALDH1A1
SCHEMBL6407532 0.77 ADAMTS4 (0.36) MMP1MMP9MMP13ADAMTS4ALDH1A1
SCHEMBL6326378 0.73 ADAMTS4 (0.65) MMP2MMP1MMP3MMP7MMP9
SCHEMBL6326385 0.73 ADAMTS4 (0.65) MMP2MMP1MMP3MMP7MMP9
SCHEMBL3416060 0.72 MMP2 (0.56) TDO2MMP2MMP1MMP3MMP7
SCHEMBL6321461 0.72 MMP2 (0.56) TDO2MMP2MMP1MMP3MMP7
SCHEMBL3161450 0.72 MMP2 (0.56) TDO2MMP2MMP1MMP3MMP7
SCHEMBL16519484 0.71 CA2 (0.68) MMP2MMP1MMP3MMP7MMP9
SCHEMBL16519485 0.71 CA2 (0.68) MMP2MMP1MMP3MMP7MMP9
SCHEMBL4752500 0.71 CA2 (0.68) MMP2MMP1MMP3MMP7MMP9

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 TDO2 1426/4885IKBKB 806/4885CHUK 512/4885

“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.