SCHEMBL6770026

SCHEMBL6770026

O=S(=O)(c1ccccc1-c1ccccc1)N1CCSCC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HCRTR1 O43613 2/20 0.47
HCRTR2 O43614 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
FABP1 P07148 5/20 0.45
OPRM1 P35372 5/20 0.45
OPRK1 P41145 5/20 0.45
KCNH2 Q12809 1/20 0.45
ALOX5AP P20292 2/20 0.44
FEN1 P39748 2/20 0.44
CASP3 P42574 1/20 0.44
CASP7 P55210 1/20 0.44
CASP6 P55212 1/20 0.44

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
SCHEMBL28546624 0.88 TSHR (0.55) TSHRCYP3A4CYP2C9CYP2C19HCRTR1
SCHEMBL15924957 0.77 TSHR (0.51) TSHRCYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL3045649 0.75 L3MBTL1 (0.62) TSHRCYP2C9
SCHEMBL14009509 0.73 TSHR (0.48) TSHRCYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL4599905 0.73 PKM (0.62) TSHRCYP3A4CYP2C9CYP2C19
SCHEMBL27750067 0.73 HCRTR1 (0.44) TSHRCYP3A4CYP2C9CYP2C19HCRTR1
SCHEMBL29432508 0.72 ALDH1A1 (0.73) SMN1; SMN2
Hydrochloric Acid SCHEMBL5002963 0.72 TSHR (0.47) TSHRCYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL31681326 0.72 ALDH1A1 (0.73) TSHRCYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL17007454 0.72 DHCR7 (0.55) TSHRHCRTR1HCRTR2OPRM1OPRK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6686355-B2 TREATING HEART DISEASE, MULTIPLE SCLEROSIS, ARTHRITIS, ATHEROSCLEROSIS, AND OSTEOPOROSIS; ANTICANCER AGENTS WARNER-LAMBERT COMPANY 2004-02-03 US disclosed
US-20020156074-A1 Biphenyl sulfonamides useful as matrix metalloproteinase inhibitors BARVIAN NICOLE CHANTEL (US) 2002-10-24 US disclosed
EP-1233016-A1 Biphenyl sulfonamides useful as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2002-08-21 EP 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-20020156074-A1 Biphenyl sulfonamides useful as matrix metalloproteinase inhibitors MMP3, MMP9, MMP13 TSHR 1912/4885CYP3A4 975/4885CYP2C9 211/4885

“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.