SCHEMBL6320849

SCHEMBL6320849

CCCCOc1ccc(S(=O)(=O)NCC(C)S)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.58
MMP1 P03956 1/20 0.58
MMP2 P08253 1/20 0.58
MMP13 P45452 1/20 0.58
MMP14 P50281 1/20 0.58
ADAMTS5 Q9UNA0 1/20 0.58
TSHR P16473 6/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
SMN1; SMN2 Q16637 6/20 0.52
LMNA P02545 5/20 0.52
HTT P42858 6/20 0.51
ALDH1A1 P00352 4/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51

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
SCHEMBL6323746 0.86 MMP1 (0.61) ADAMTS4MMP1MMP2MMP13MMP14
SCHEMBL6329622 0.82 ALDH1A1 (0.61) MMP1MMP2MMP13CA1CA2
SCHEMBL7487250 0.82 MMP1 (0.60) ADAMTS4MMP1MMP2MMP13MMP14
SCHEMBL6329007 0.81 SMN1; SMN2 (0.57) TSHRCA2SMN1; SMN2LMNAHTT
SCHEMBL3413215 0.79 ADAMTS4 (0.53) ADAMTS4MMP1MMP2MMP13MMP14
SCHEMBL6320863 0.78 CA1 (0.51) MMP1MMP2MMP14CA1CA2
SCHEMBL7420446 0.78 MMP1 (0.70) ADAMTS4MMP1MMP2MMP13MMP14
SCHEMBL6329695 0.77 ALDH1A1 (0.57) TSHRCA1CA2ALDH1A1KMT2A
SCHEMBL6320842 0.77 TSHR (0.53) ADAMTS4MMP1MMP2MMP13MMP14
SCHEMBL990327 0.77 ADAMTS4 (0.58) ADAMTS4MMP1MMP2MMP13MMP14

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 33/4885MMP1 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.