SCHEMBL3480191

SCHEMBL3480191

CCC(CC)(N(C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(-c2ccc(OCCCCl)c(OCCCCl)c2)s1)P(=O)(O)O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.34
S1PR1 P21453 3/20 0.33
S1PR4 O95977 2/20 0.33
S1PR5 Q9H228 2/20 0.33
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP14 P50281 1/20 0.31
MMP1 P03956 1/20 0.30

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
SCHEMBL3480181 0.88
SCHEMBL3480335 0.85
SCHEMBL3480176 0.83 STING1 (0.33)
SCHEMBL3480187 0.81 MMP13 (0.33) MMP13S1PR1S1PR4S1PR5MMP2
SCHEMBL3480885 0.81 STING1 (0.32)
SCHEMBL3946184 0.79 MMP13 (0.35) MMP13MMP2MMP3MMP9MMP8
SCHEMBL3480581 0.75 S1PR1 (0.34) MMP13S1PR1S1PR4S1PR5MMP2
SCHEMBL3483207 0.75 CA2 (0.37) S1PR1S1PR4S1PR5
SCHEMBL3483182 0.72
SCHEMBL3480263 0.71 MAPT (0.34) MMP13S1PR1S1PR4S1PR5MMP2

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
EP-2049200-B1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC (CA) 2015-04-29 EP disclosed
US-8440643-B2 Inhibitors of beta-lactamase METHYLGENE INC. (CA) 2013-05-14 US disclosed
US-20100317625-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE 92229129 QUEBEC INC. (CA) 2010-12-16 US disclosed
US-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC. 2010-11-04 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 (2 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-20100317625-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE MGAM, BPGM, PPME1 MMP13 2065/4885S1PR1 3419/4885S1PR4 3069/4885
US-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MGAM, MGAM2, PGLS MMP13 1499/4885S1PR1 4547/4885S1PR4 4636/4885

“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.