SCHEMBL6724735

SCHEMBL6724735

Cn1c(=O)n(Cc2ccccc2)c(=O)c2cc(C(=O)OC(F)(C(F)F)C(F)(F)F)sc21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 3/20 0.39
KDM4E B2RXH2 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
MMP13 P45452 1/20 0.37
SLC22A8 Q8TCC7 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
SCHEMBL6724730 0.87 SMN1; SMN2 (0.40) TRPA1TSHRSMN1; SMN2MAPTLMNA
SCHEMBL6724731 0.86 TRPA1 (0.41) TRPA1TSHRSMN1; SMN2MAPTLMNA
SCHEMBL6730268 0.83 KMT2A (0.42) TRPA1TSHRSMN1; SMN2LMNAKDM4E
SCHEMBL6727512 0.83 KMT2A (0.44) TRPA1TSHRSMN1; SMN2MAPTLMNA
SCHEMBL6235401 0.82 KDM4E (0.54) TRPA1TSHRSMN1; SMN2KDM4EKMT2A
SCHEMBL6730212 0.82 KMT2A (0.42) TRPA1TSHRSMN1; SMN2LMNAKDM4E
SCHEMBL6474723 0.82 TRPA1 (0.39) TRPA1TSHRSMN1; SMN2MAPTLMNA
SCHEMBL6724882 0.81 KMT2A (0.42) TRPA1TSHRSMN1; SMN2LMNAKDM4E
SCHEMBL6529705 0.80 TSHR (0.53) TRPA1TSHRSMN1; SMN2MAPTLMNA
SCHEMBL6252686 0.80 MMP13 (0.53) TRPA1TSHRSMN1; SMN2MAPTLMNA

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
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 US claimed
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-01-29 US disclosed
US-20040019054-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-01-29 US disclosed
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 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 (3 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-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors MMP13, MMP3, MMP25 TRPA1 3888/4885TSHR 3353/4885SMN1; SMN2 2160/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 TRPA1 982/4885TSHR 3857/4885SMN1; SMN2 1550/4885
US-20040019054-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib MMP13, MMP11, MMP10 TRPA1 671/4885TSHR 4247/4885SMN1; SMN2 941/4885

“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.