SCHEMBL6326224

SCHEMBL6326224

CC(C)c1ccc(S(=O)(=O)N[C@H](C)CS)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.51
PGR P06401 1/20 0.51
NR3C2 P08235 1/20 0.51
ALDH1A1 P00352 6/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
CA12 O43570 1/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
TRIM24 O15164 1/20 0.43
BRD1 O95696 1/20 0.43
BRPF1 P55201 1/20 0.43
PKM P14618 1/20 0.42

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
SCHEMBL6326221 1.00 NR3C1 (0.51) NR3C1PGRNR3C2ALDH1A1CA2
SCHEMBL6323693 0.86 CA2 (0.53) NR3C1ALDH1A1CA2CA9CA12
SCHEMBL6323690 0.86 CA2 (0.53) NR3C1ALDH1A1CA2CA9CA12
SCHEMBL6323465 0.84 CA2 (0.68) NR3C1ALDH1A1CA2CA9CA12
SCHEMBL6323466 0.84 CA2 (0.68) NR3C1ALDH1A1CA2CA9CA12
SCHEMBL14132583 0.84 CA2 (0.54) NR3C1PGRNR3C2ALDH1A1CA2
SCHEMBL6324072 0.83 MMP2 (0.53) ALDH1A1CA2CA9CA12TSHR
SCHEMBL6329763 0.83 CA2 (0.54) ALDH1A1CA2CA9CA12TSHR
SCHEMBL15801255 0.83 NR3C1 (0.51) NR3C1PGRNR3C2ALDH1A1CA2
SCHEMBL6320955 0.83 CA2 (0.53) ALDH1A1CA2CA9CA12TSHR

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 NR3C1 4639/4885PGR 3751/4885NR3C2 3371/4885

“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.