SCHEMBL3483482

SCHEMBL3483482

NCCCC[C@H](N)C(=O)Nc1ccc2sc(S(=O)(=O)NCP(=O)(O)O)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TERT O14746 5/20 0.43
MMP2 P08253 2/20 0.41
MMP9 P14780 1/20 0.41
LTA4H P09960 1/20 0.40
S1PR1 P21453 6/20 0.36
S1PR3 Q99500 4/20 0.36
S1PR4 O95977 3/20 0.36
S1PR5 Q9H228 3/20 0.36
S1PR2 O95136 1/20 0.36
SUV39H2 Q9H5I1 2/20 0.35
CHEK1 O14757 1/20 0.35
CA2 P00918 1/20 0.33
ERAP2 Q6P179 1/20 0.33
LNPEP Q9UIQ6 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33

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
SCHEMBL13032346 0.82 MMP2 (0.38) TERTMMP2MMP9LTA4H
SCHEMBL14931228 0.81 CA2 (0.46) TERTCA2
SCHEMBL3484113 0.78 HDAC1 (0.36) CA2
SCHEMBL3483343 0.77 HDAC1 (0.40) CA2
SCHEMBL3483512 0.76 BCL9 (0.38)
SCHEMBL3483292 0.76 KMT2A (0.36)
SCHEMBL3480221 0.73 CA2 (0.41) CA2
SCHEMBL3480329 0.73 TOP1 (0.47) TERTCA2
Trifluoroacetic Acid SCHEMBL3484128 0.73 CA12 (0.36) CA2
SCHEMBL3480060 0.73 TERT (0.49) TERTCA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC. 2010-11-04 US claimed
EP-2049200-B1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC (CA) 2015-04-29 EP 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 (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-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MGAM, MGAM2, PGLS TERT 3758/4885MMP2 152/4885MMP9 66/4885

“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.