SCHEMBL6330648

SCHEMBL6330648

CCCCOc1ccc(S(=O)(=O)N(CCN2CCCC2)[C@H](C)CO)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.49
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
RECQL P46063 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LTA4H P09960 1/20 0.48
HTR2A P28223 2/20 0.47
HTR2C P28335 1/20 0.47
KCNH2 Q12809 5/20 0.47
THRB P10828 4/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 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
DRD4 P21917 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
SCHEMBL6324033 0.99 HRH3 (0.50) HRH3TSHRMAPK1RECQLL3MBTL1
SCHEMBL6323081 0.91 ALDH1A1 (0.54) HRH3TSHRMAPK1HTR2AHTR2C
SCHEMBL6324141 0.89 HRH3 (0.48) HRH3TSHRMAPK1RECQLL3MBTL1
SCHEMBL6328935 0.88 TSHR (0.50) HRH3TSHRMAPK1RECQLL3MBTL1
SCHEMBL6325041 0.86 HRH3 (0.47) HRH3TSHRMAPK1RECQLL3MBTL1
SCHEMBL6321719 0.85 HRH3 (0.48) HRH3TSHRMAPK1RECQLL3MBTL1
SCHEMBL6324383 0.84 MMP3 (0.50) TSHRMAPK1RECQLL3MBTL1HTR2A
SCHEMBL6330653 0.81 MMP3 (0.51) HRH3TSHRMAPK1RECQLL3MBTL1
SCHEMBL6331599 0.81 ALDH1A1 (0.54) HRH3TSHRMAPK1HTR2AHTR2C
SCHEMBL6324038 0.80 MMP3 (0.52) HRH3TSHRMAPK1RECQLL3MBTL1

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 HRH3 3798/4885TSHR 3250/4885MAPK1 2188/4885

“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.