SCHEMBL6323346

SCHEMBL6323346

COc1ccc(S(=O)(=O)N2CCC(S)C2)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 6/20 0.67
MMP8 P22894 2/20 0.67
MMP13 P45452 2/20 0.67
MMP2 P08253 1/20 0.67
PKM P14618 2/20 0.64
NPC1 O15118 1/20 0.64
PKLR P30613 1/20 0.64
RAB9A P51151 1/20 0.64
MAPT P10636 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
ALDH1A1 P00352 2/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C19 P33261 1/20 0.59
HTT P42858 1/20 0.59
GAA P10253 2/20 0.59
KDM4E B2RXH2 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CCR6 P51684 1/20 0.55
TSHR P16473 1/20 0.55

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
SCHEMBL8207825 1.00 ADAM17 (0.67) ADAM17MMP8MMP13MMP2PKM
SCHEMBL12730849 0.86 ADAM17 (0.71) ADAM17MMP8MMP13MMP2PKM
SCHEMBL12730569 0.86 ADAM17 (0.71) ADAM17MMP8MMP13MMP2PKM
SCHEMBL8334686 0.86 ADAM17 (0.71) ADAM17MMP8MMP13MMP2PKM
SCHEMBL8207642 0.83 PKM (0.60) PKMNPC1PKLRRAB9AMAPT
SCHEMBL6329625 0.82 PKM (0.64) PKMNPC1PKLRRAB9AMAPT
SCHEMBL8206337 0.82 PKM (0.64) PKMNPC1PKLRRAB9AMAPT
SCHEMBL8329165 0.80 ADAM17 (1.00) ADAM17MMP8MMP13MMP2
SCHEMBL12708189 0.80 ADAM17 (1.00) ADAM17MMP8MMP13MMP2
SCHEMBL8334970 0.80 ADAM17 (1.00) ADAM17MMP8MMP13MMP2

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 6 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
EP-0939629-A4 THIOL SULFONAMIDE METALLOPROTEASE INHIBITORS MONSANTO CO (US) 2002-07-17 EP disclosed
CN-1238688-A Thiol sulfonamide metalloprotease inhibitors MONSANTO CO (US) 1999-12-15 CN disclosed
EP-0939629-A1 THIOL SULFONAMIDE METALLOPROTEASE INHIBITORS MONSANTO COMPANY (US) 1999-09-08 EP disclosed
WO-1998003166-A1 THIOL SULFONAMIDE METALLOPROTEASE INHIBITORS MONSANTO COMPANY (US) 1998-01-29 WO 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 ADAM17 27/4885MMP8 34/4885MMP13 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.