SCHEMBL12378830

SCHEMBL12378830

CC1(C[S+]([O-])c2ccc(Br)cc2)NC(=O)NC1=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 6/20 0.42
MMP13 P45452 3/20 0.42
MMP2 P08253 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ITGAL P20701 1/20 0.36
ADAM17 P78536 4/20 0.33
FPR2 P25090 3/20 0.33
MMP14 P50281 1/20 0.33
AKR1B1 P15121 1/20 0.33
ADAMTS4 O75173 2/20 0.32
MMP3 P08254 1/20 0.32
MMP12 P39900 1/20 0.32

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
SCHEMBL12416111 0.85 SMN1; SMN2 (0.40) ADAMTS5MMP13MMP2SMN1; SMN2NPSR1
SCHEMBL14085484 0.83 ALDH1A1 (0.46) ADAMTS5MMP13MMP2SMN1; SMN2NPSR1
SCHEMBL12378668 0.80 ALDH1A1 (0.43) ADAMTS5MMP13MMP2SMN1; SMN2NPSR1
SCHEMBL940649 0.76 MMP2 (0.46) MMP13MMP2SMN1; SMN2NPSR1ALDH1A1
SCHEMBL12378835 0.74 SMN1; SMN2 (0.68) ADAMTS5MMP13MMP2SMN1; SMN2NPSR1
SCHEMBL12378832 0.72 PLCG1 (0.44) ADAMTS5MMP13MMP2SMN1; SMN2NPSR1
SCHEMBL12378824 0.70 SMN1; SMN2 (0.48) ADAMTS5MMP13MMP2SMN1; SMN2NPSR1
SCHEMBL12378827 0.70 ADAMTS5 (0.46) ADAMTS5MMP13MMP2SMN1; SMN2NPSR1
SCHEMBL12378821 0.70 ADAMTS5 (0.43) ADAMTS5MMP13MMP2SMN1; SMN2NPSR1
SCHEMBL12378820 0.69 ADAM17 (0.51) ADAMTS5MMP13MMP2ALDH1A1ADAM17

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 ADAMTS5 3194/4885MMP13 1137/4885MMP2 1337/4885

“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.