SCHEMBL6326430

SCHEMBL6326430

CCCCCc1ccc(S(=O)(=O)N(CCN2CCOCC2)CC(C)S)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.47
THRA P10827 1/20 0.47
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
ALDH1A1 P00352 3/20 0.46
CA1 P00915 1/20 0.46
MMP3 P08254 1/20 0.44
BMP1 P13497 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RORC P51449 2/20 0.41
IL17A Q16552 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TBXA2R P21731 1/20 0.39
TBXAS1 P24557 1/20 0.39
SIGMAR1 Q99720 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
SCHEMBL6773750 0.90 THRB (0.50) THRBTHRACA12CA9ALDH1A1
SCHEMBL6326453 0.87 CA12 (0.49) THRBTHRACA12CA9ALDH1A1
SCHEMBL6331601 0.86 ALDH1A1 (0.54) THRBTHRACA12CA9ALDH1A1
SCHEMBL6326427 0.82 THRB (0.47) THRBTHRACA12CA9ALDH1A1
SCHEMBL6325872 0.80 THRB (0.50) THRBTHRACA12CA9ALDH1A1
SCHEMBL6324147 0.76 MMP3 (0.48) THRBALDH1A1MMP3MEN1KMT2A
SCHEMBL6323083 0.76 ALDH1A1 (0.54) THRBTHRACA12CA9ALDH1A1
SCHEMBL6323724 0.76 THRB (0.48) THRBTHRACA12CA9ALDH1A1
SCHEMBL6328936 0.76 TSHR (0.50) THRBALDH1A1MMP3LMNASMN1; SMN2
SCHEMBL6330926 0.73 ADAM17 (0.53) THRBTHRACA12CA9ALDH1A1

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 4153/4885CA12 248/4885

“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.