SCHEMBL6004013

SCHEMBL6004013

CCOC(=O)c1csc(C2CCN(C(=O)OCc3ccccc3)CC2c2ccnn2-c2ccc(F)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.42
CASP3 P42574 1/20 0.40
CASP7 P55210 1/20 0.40
CASP8 Q14790 1/20 0.40
MMP1 P03956 1/20 0.38
TRPC3 Q13507 1/20 0.38
TRPC7 Q9HCX4 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
GRIN2B Q13224 3/20 0.36
ENPP2 Q13822 2/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
PIK3CD O00329 1/20 0.36
NPC1 O15118 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
SCHEMBL3594917 0.76 SMN1; SMN2 (0.51) CASP3CASP7CASP8GRIN2BSMN1; SMN2
SCHEMBL4762200 0.70 SMN1; SMN2 (0.45) MMP13MMP1TRPC3TRPC7GRIN2B
SCHEMBL4761315 0.70 NR1H2 (0.46) NR1H2NR1H3ENPP2SMN1; SMN2LMNA
SCHEMBL13576750 0.70 AADAT (0.53) CASP3CASP7CASP8NR1H2NR1H3
SCHEMBL29394187 0.70 AADAT (0.53) CASP3CASP7CASP8NR1H2NR1H3
SCHEMBL13209676 0.70 AADAT (0.53) CASP3CASP7CASP8NR1H2NR1H3
SCHEMBL6004017 0.69 MMP13 (0.42) MMP13CASP3CASP7CASP8MMP1
SCHEMBL6002792 0.69 SMN1; SMN2 (0.43) MMP13MMP1TRPC3TRPC7GRIN2B
SCHEMBL13422177 0.68 LMNA (0.47) MMP13CASP3CASP7CASP8SMN1; SMN2
SCHEMBL4721307 0.68 TRPC3 (0.49) MMP13MMP1TRPC3TRPC7ENPP2

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 507/4885CASP3 1027/4885CASP7 1208/4885

“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.