SCHEMBL6004017

SCHEMBL6004017

CCOC(=O)c1csc(C2CC(c3ccn[nH]3)N(C(=O)OCc3ccccc3)CC2c2ccc(F)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 7/20 0.42
MMP1 P03956 1/20 0.40
CASP3 P42574 1/20 0.36
CASP7 P55210 1/20 0.36
CASP8 Q14790 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
HTR7 P34969 1/20 0.35
HDAC6 Q9UBN7 1/20 0.34
ADORA2B P29275 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL6004473 0.77 NR1H2 (0.36) NR1H2NR1H3
SCHEMBL6002775 0.76 MMP13 (0.41) MMP13MMP1CASP3CASP7CASP8
SCHEMBL13576750 0.71 AADAT (0.53) CASP3CASP7CASP8NR1H2NR1H3
SCHEMBL13209676 0.71 AADAT (0.53) CASP3CASP7CASP8NR1H2NR1H3
SCHEMBL29394187 0.71 AADAT (0.53) CASP3CASP7CASP8NR1H2NR1H3
SCHEMBL6004013 0.69 MMP13 (0.42) MMP13MMP1CASP3CASP7CASP8
SCHEMBL6004393 0.68 MMP13 (0.42) MMP13MMP1CASP3CASP7CASP8
SCHEMBL3594917 0.67 SMN1; SMN2 (0.51) CASP3CASP7CASP8NPC1RAB9A
SCHEMBL6004594 0.67 AADAT (0.30)
SCHEMBL6003957 0.66 NR1H2 (0.46) MMP13MMP1CASP3CASP7CASP8

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders KALYPSYS, INC. 2006-11-09 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 (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-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders MAPK1, MAP3K1, MAPK4 MMP13 507/4885MMP1 382/4885CASP3 1027/4885

“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.