SCHEMBL6329622

SCHEMBL6329622

COc1ccc(S(=O)(=O)NCC(C)S)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.61
PKM P14618 1/20 0.61
MMP1 P03956 2/20 0.56
MMP13 P45452 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CYP19A1 P11511 1/20 0.54
GAA P10253 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53
MMP8 P22894 1/20 0.53
POLB P06746 2/20 0.52
LMNA P02545 1/20 0.52
MEP1B Q16820 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
USP2 O75604 1/20 0.50

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
SCHEMBL8029643 0.87 ALDH1A1 (0.65) ALDH1A1PKMMMP1MMP13SMN1; SMN2
SCHEMBL6321537 0.84 ALDH1A1 (0.63) ALDH1A1PKMMMP1MMP13SMN1; SMN2
SCHEMBL6320863 0.83 CA1 (0.51) ALDH1A1MMP1SMN1; SMN2CA1CA2
SCHEMBL6320849 0.82 ADAMTS4 (0.58) ALDH1A1MMP1MMP13SMN1; SMN2GAA
SCHEMBL6323468 0.81 GBA1 (0.70) ALDH1A1SMN1; SMN2CYP19A1GAACA1
SCHEMBL24269885 0.80 ALDH1A1 (0.56) ALDH1A1PKMMMP1MMP13SMN1; SMN2
SCHEMBL29183278 0.80 ALDH1A1 (0.56) ALDH1A1PKMMMP1MMP13SMN1; SMN2
SCHEMBL6329766 0.80 CA1 (0.73) ALDH1A1PKMMMP1MMP13SMN1; SMN2
SCHEMBL6323694 0.80 CA1 (0.71) ALDH1A1SMN1; SMN2CYP19A1GAACA1
SCHEMBL6324078 0.80 SIGMAR1 (0.51) ALDH1A1MMP1MMP13CYP19A1GAA

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 5 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
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 ALDH1A1 986/4885PKM 2237/4885MMP1 13/4885

“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.