SCHEMBL13196261

SCHEMBL13196261

C[C@@](CCn1cnc(-c2ccccc2)c1)(C(=O)NO)S(C)(=O)=O

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.55
MMP12 P39900 1/20 0.55
MMP13 P45452 1/20 0.55

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
SCHEMBL12986530 1.00 SLC6A2 (0.55) SLC6A2MMP12MMP13
SCHEMBL12985062 0.89 CYP2E1 (0.42) SLC6A2MMP12MMP13
SCHEMBL12986519 0.83 RAB9A (0.41)
SCHEMBL12985169 0.82 SLC6A2 (0.46) SLC6A2MMP12MMP13
SCHEMBL28808983 0.81 LTB4R (0.39) SLC6A2MMP12MMP13
SCHEMBL12984988 0.80 SLC6A2 (0.55) SLC6A2MMP12MMP13
SCHEMBL27947836 0.79 PDE10A (0.38)
SCHEMBL12986337 0.79 TGFBR1 (0.36)
SCHEMBL12984989 0.77 SLC6A2 (0.60) SLC6A2MMP12MMP13
SCHEMBL12986239 0.77 SLC6A2 (0.60) SLC6A2MMP12MMP13

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-8809333-B2 Imidazole, pyrazole, and triazole derivatives useful as antibacterial agents PFIZER INC. (US) 2014-08-19 US disclosed
US-20140038975-A1 Imidazole, Pyrazole, and Triazole Derivatives Useful As Antibacterial Agents BROWN MATTHEW FRANK (US) 2014-02-06 US disclosed
WO-2012137099-A1 IMIDAZOLE, PYRAZOLE, AND TRIAZOLE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2012-10-11 WO 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-20140038975-A1 Imidazole, Pyrazole, and Triazole Derivatives Useful As Antibacterial Agents AADAC, TPX2, NLRP3 SLC6A2 4389/4885MMP12 416/4885MMP13 1374/4885

“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.