SCHEMBL6002792

SCHEMBL6002792

CCOC(=O)c1csc(C=C(OC(=O)C2CCN(C(=O)OCc3ccccc3)CC2)c2ccc(F)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MMP13 P45452 2/20 0.42
CYP2C19 P33261 1/20 0.42
TRPC3 Q13507 1/20 0.41
TRPC7 Q9HCX4 1/20 0.41
MMP1 P03956 1/20 0.40
HTT P42858 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
GRIN2B Q13224 3/20 0.38
ENPP2 Q13822 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
EGFR P00533 1/20 0.36

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
SCHEMBL4762200 0.79 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AMMP13CYP2C19
SCHEMBL3594917 0.74 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL630697 0.71 SMN1; SMN2 (0.73) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL4721307 0.71 TRPC3 (0.49) SMN1; SMN2NPC1RAB9AMMP13TRPC3
SCHEMBL9256664 0.71 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL4717811 0.70 TRPC3 (0.51) SMN1; SMN2NPC1RAB9AMMP13TRPC3
SCHEMBL6004395 0.69 TSHR (0.43) SMN1; SMN2MMP13MMP1LMNA
SCHEMBL6004013 0.69 MMP13 (0.42) SMN1; SMN2NPC1RAB9AMMP13TRPC3
SCHEMBL1507267 0.68 NPC1 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL13576750 0.68 AADAT (0.53) SMN1; SMN2NPC1RAB9ALMNA

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 SMN1; SMN2 1278/4885NPC1 1832/4885RAB9A 883/4885

“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.