SCHEMBL6328936

SCHEMBL6328936

CCCCOc1ccc(S(=O)(=O)N(CCN2CCCCC2)CC(C)S)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
RECQL P46063 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MMP3 P08254 3/20 0.49
HRH3 Q9Y5N1 12/20 0.49
KCNH2 Q12809 5/20 0.49
LTA4H P09960 1/20 0.47
HTR2A P28223 2/20 0.47
HTR2C P28335 1/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
THRB P10828 2/20 0.47
CYP1A2 P05177 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
ADRA2C P18825 1/20 0.47

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
SCHEMBL6324147 0.99 MMP3 (0.48) TSHRMAPK1RECQLL3MBTL1MMP3
SCHEMBL6331601 0.90 ALDH1A1 (0.54) MAPK1MMP3HRH3KCNH2HTR2A
SCHEMBL6324038 0.90 MMP3 (0.52) TSHRMAPK1RECQLL3MBTL1MMP3
SCHEMBL6330653 0.88 MMP3 (0.51) TSHRMAPK1RECQLL3MBTL1MMP3
SCHEMBL6321722 0.84 MMP3 (0.49) TSHRMAPK1RECQLL3MBTL1MMP3
SCHEMBL6325045 0.83 MMP3 (0.48) TSHRMAPK1RECQLL3MBTL1MMP3
SCHEMBL6322271 0.83 MMP3 (0.59) TSHRMMP3HTR2AHTR2CLMNA
SCHEMBL1682448 0.81 LTA4H (0.54) TSHRMAPK1RECQLL3MBTL1MMP3
SCHEMBL6328935 0.81 TSHR (0.50) TSHRMAPK1RECQLL3MBTL1HRH3
SCHEMBL6324141 0.80 HRH3 (0.48) TSHRMAPK1RECQLL3MBTL1HRH3

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 TSHR 3250/4885MAPK1 2188/4885RECQL 4865/4885

“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.