SCHEMBL6326427

SCHEMBL6326427

CCCCCc1ccc(S(=O)(=O)N(CCN2CCOCC2)[C@H](C)CS)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.47
THRA P10827 1/20 0.47
MMP13 P45452 2/20 0.42
MMP2 P08253 1/20 0.42
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
ALDH1A1 P00352 3/20 0.42
CA1 P00915 1/20 0.41
SIGMAR1 Q99720 1/20 0.39
MMP3 P08254 2/20 0.39
MMP1 P03956 1/20 0.39
MMP7 P09237 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
RORC P51449 1/20 0.39
IL17A Q16552 1/20 0.39

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
SCHEMBL6325872 0.90 THRB (0.50) THRBTHRAMMP13MMP2CA12
SCHEMBL6331599 0.86 ALDH1A1 (0.54) THRBTHRAMMP13MMP2CA12
SCHEMBL6323724 0.85 THRB (0.48) THRBTHRAMMP13MMP2CA12
SCHEMBL6326430 0.82 THRB (0.47) THRBTHRACA12CA9ALDH1A1
SCHEMBL6773750 0.80 THRB (0.50) THRBTHRAMMP13MMP2CA12
SCHEMBL6326453 0.79 CA12 (0.49) THRBTHRAMMP13MMP2CA12
SCHEMBL3944994 0.78 ADAM17 (0.50) MMP13MMP2CA12CA9ALDH1A1
SCHEMBL6324141 0.76 HRH3 (0.48) THRBTHRAMMP13ALDH1A1MMP1
SCHEMBL6323081 0.76 ALDH1A1 (0.54) THRBTHRAMMP13MMP2CA12
SCHEMBL6328935 0.76 TSHR (0.50) THRBTHRAMMP13ALDH1A1MMP1

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 THRB 4464/4885THRA 4153/4885MMP13 2/4885

“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.