SCHEMBL12378820

SCHEMBL12378820

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.51
SIGMAR1 Q99720 4/20 0.43
CYP19A1 P11511 1/20 0.41
GAA P10253 1/20 0.41
MMP2 P08253 3/20 0.40
MMP13 P45452 3/20 0.40
MMP1 P03956 2/20 0.40
MMP9 P14780 2/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
IDO1 P14902 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MMP8 P22894 1/20 0.39
GFER P55789 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL12416707 0.84 ADAM17 (0.57) ADAM17GAAMMP2MMP13MMP1
SCHEMBL12378665 0.81 ADAM17 (0.56) ADAM17MMP2MMP13MMP9MMP3
SCHEMBL12378832 0.78 PLCG1 (0.44) MMP2MMP13ADAMTS5ALDH1A1
SCHEMBL12378827 0.77 ADAMTS5 (0.46) ADAM17MMP2MMP13MMP3ADAMTS5
SCHEMBL12378835 0.69 SMN1; SMN2 (0.68) MMP2MMP13ADAMTS5ALDH1A1
SCHEMBL12378830 0.69 ADAMTS5 (0.42) ADAM17MMP2MMP13MMP3ADAMTS5
SCHEMBL3020463 0.68 ALDH1A1 (0.68) SIGMAR1CYP19A1GAAMMP2MMP13
SCHEMBL12378821 0.68 ADAMTS5 (0.43) ADAM17MMP2MMP13MMP1MMP9
SCHEMBL12378824 0.68 SMN1; SMN2 (0.48) ADAM17MMP2MMP13MMP1MMP9
SCHEMBL10112552 0.68 TNF (0.43) ADAM17MMP2MMP13MMP1MMP3

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 4 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-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
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 ADAM17 1995/4885SIGMAR1 3260/4885CYP19A1 3387/4885

“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.