SCHEMBL6913504

SCHEMBL6913504

CN1CCC(Cn2c(=O)[nH]c3sc(C(=O)OCc4ccccc4)cc3c2=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.39
MTOR P42345 1/20 0.39
TSHR P16473 1/20 0.38
MAPK10 P53779 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
ADORA2B P29275 1/20 0.36
ACHE P22303 2/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
SIGMAR1 Q99720 3/20 0.35
TMEM97 Q5BJF2 2/20 0.35
MAPK8 P45983 1/20 0.35

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
SCHEMBL6258644 0.81 MMP13 (0.54) MMP13TSHRMAPK10KDM4EALDH1A1
SCHEMBL6907518 0.78 MMP13 (0.43) MMP13TSHRHSD17B10ADRA1AADRA1B
SCHEMBL6254402 0.78 GPBAR1 (0.41) MMP13TSHRHSD17B10KDM4EALDH1A1
SCHEMBL6733424 0.78 MMP13 (0.41) MMP13TSHRHSD17B10ADORA1KDM4E
SCHEMBL6727947 0.77 MAPK8 (0.41) MMP13TSHRHSD17B10ADORA1KDM4E
SCHEMBL6473178 0.77 KDM4E (0.49) MMP13TSHRHSD17B10KDM4EALDH1A1
SCHEMBL7018700 0.77 SMN1; SMN2 (0.46) MMP13HSD17B10ALDH1A1ADORA2B
SCHEMBL7145713 0.76 MMP13 (0.43) MMP13HSD17B10KDM4EALDH1A1HPGD
SCHEMBL6252407 0.76 MMP13 (0.45) MMP13TSHRKDM4EALDH1A1HPGD
SCHEMBL6259959 0.76 MMP13 (0.49) MMP13TSHRKDM4EALDH1A1HPGD

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-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 US claimed
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 (2 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 MMP13 1/4885MTOR 4476/4885TSHR 3353/4885
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 MMP13 1/4885MTOR 946/4885TSHR 4247/4885

“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.