SCHEMBL6476858

SCHEMBL6476858

Cc1c(=O)c(Cc2ccc(F)c(F)c2)cn2cc(C(=O)NCc3ccccc3)sc12

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 10/20 0.49
MAPT P10636 3/20 0.41
CHRM4 P08173 1/20 0.40
S1PR3 Q99500 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CACNA1G O43497 2/20 0.38
CACNA1H O95180 2/20 0.38
CACNA1I Q9P0X4 2/20 0.38
PTGER4 P35408 1/20 0.38

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
SCHEMBL6484565 0.85 RXRA (0.35) TRPA1MAPTCHRM4S1PR3ALDH1A1
SCHEMBL6814145 0.84 TRPA1 (0.52) TRPA1MAPTCHRM4
SCHEMBL6477100 0.82 CHRM4 (0.43) TRPA1MAPTCHRM4S1PR3CACNA1G
SCHEMBL6476120 0.81 TRPA1 (0.54) TRPA1MAPTPTGER4
SCHEMBL6288742 0.81 MAPT (0.49) TRPA1MAPT
SCHEMBL6292190 0.77 MAPT (0.45) TRPA1MAPTS1PR3CACNA1GCACNA1H
SCHEMBL6484250 0.75 FFAR1 (0.33)
SCHEMBL6818812 0.75 CHRM4 (0.37) TRPA1MAPTCHRM4S1PR3CACNA1G
SCHEMBL6478088 0.75 PTGER4 (0.41) MAPTCHRM4S1PR3ALDH1A1CACNA1G
SCHEMBL6477648 0.75 POLB (0.42) MAPTCHRM4S1PR3ALDH1A1CACNA1G

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
WO-2004014908-A1 HETEROBICYLCIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO claimed
US-6897223-B2 Pyridine fused bicyclic metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-05-24 US disclosed
US-20040039012-A1 Pyridine fused bicyclic metalloproteinase inhibitors WILSON MICHAEL WILLIAM (US) 2004-02-26 US disclosed
WO-2004014908-A1 HETEROBICYLCIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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-20040039012-A1 Pyridine fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 TRPA1 4030/4885MAPT 4485/4885CHRM4 4702/4885

“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.