SCHEMBL12378832

SCHEMBL12378832

CC1(CS(=O)(=O)c2ccc(Br)cc2)NC(=O)NC1=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.44
MMP13 P45452 14/20 0.43
ADAMTS5 Q9UNA0 2/20 0.43
MMP2 P08253 1/20 0.43
MMP12 P39900 5/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MMP14 P50281 4/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL12418579 0.85 MMP13 (0.38) MMP13MMP12SMN1; SMN2NPSR1MMP14
SCHEMBL6210220 0.85 MMP13 (0.51) MMP13ADAMTS5MMP12SMN1; SMN2NPSR1
SCHEMBL941785 0.82 ALDH1A1 (0.44) MMP13ADAMTS5MMP2MMP14ALDH1A1
SCHEMBL12378667 0.79 CA12 (0.42) MMP13ADAMTS5MMP2MMP12CYP2C9
SCHEMBL12378820 0.78 ADAM17 (0.51) MMP13ADAMTS5MMP2ALDH1A1
SCHEMBL941823 0.78 MMP13 (0.46) MMP13MMP2MMP12SMN1; SMN2MMP14
SCHEMBL6209887 0.73 MMP13 (0.52) MMP13MMP2MMP12SMN1; SMN2NPSR1
SCHEMBL12378835 0.72 SMN1; SMN2 (0.68) MMP13ADAMTS5MMP2SMN1; SMN2NPSR1
SCHEMBL13219698 0.72 PLCG1 (0.55) PLCG1MMP13MMP2CYP1A2CYP3A4
SCHEMBL12378830 0.72 ADAMTS5 (0.42) MMP13ADAMTS5MMP2MMP12SMN1; SMN2

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-7998961-B2 For treating conditions associated with UDP-3-O (R-3-hydroxymyristoyl)-N-acetylglucosamine deacetylase (LpxC) SCHERING CORPORATION (US) 2011-08-16 US disclosed
US-20080226618-A1 HYDANTOIN DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS SCHERING CORPORATION 2008-09-18 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-20080226618-A1 HYDANTOIN DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS LPXN, HAX1, LCT PLCG1 2367/4885MMP13 1137/4885ADAMTS5 3194/4885

“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.