SCHEMBL5957535

SCHEMBL5957535

Cc1c(=O)n(Cc2ccc(C(=O)OC(C)(C)C)cc2)c(=O)n2cc(C(=O)NCc3ccc(F)cc3)sc12

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 15/20 0.75
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
S1PR3 Q99500 1/20 0.37

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
SCHEMBL5957389 0.91 TRPA1 (0.80) TRPA1MAPTSMN1; SMN2
SCHEMBL5957336 0.91 TRPA1 (0.65) TRPA1MAPTSMN1; SMN2
SCHEMBL5957340 0.91 TRPA1 (0.74) TRPA1SMN1; SMN2
SCHEMBL5957547 0.88 TRPA1 (0.86) TRPA1
SCHEMBL5957282 0.87 TRPA1 (0.84) TRPA1MAPT
SCHEMBL5957284 0.86 TRPA1 (0.80) TRPA1MAPT
SCHEMBL5957503 0.86 TRPA1 (1.00) TRPA1MAPT
SCHEMBL5957305 0.85 TRPA1 (0.71) TRPA1MAPTS1PR3
Hydrochloric Acid SCHEMBL5957302 0.85 TRPA1 (0.70) TRPA1MAPTS1PR3
Hydrochloric Acid SCHEMBL5957637 0.84 TRPA1 (0.81) TRPA1MAPT

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-20060040957-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY 2006-02-23 US disclosed
EP-1362054-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-11-19 EP disclosed
WO-2002064599-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 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-20060040957-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS MMP13, MMP25, MMP15 TRPA1 3405/4885MAPT 4608/4885SMN1; SMN2 1727/4885

“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.