SCHEMBL4717811

SCHEMBL4717811

CCOC(=O)c1csc(-c2c(-c3ccc(F)cc3)c(=O)[nH]n2C2CCN(C(=O)OCc3ccccc3)CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 4/20 0.51
TRPC7 Q9HCX4 4/20 0.51
LMNA P02545 3/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TP53 P04637 1/20 0.44
MMP13 P45452 2/20 0.42
MMP1 P03956 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GRIN2B Q13224 1/20 0.38
MAPK14 Q16539 1/20 0.38
ENPP2 Q13822 2/20 0.38
RAB9A P51151 2/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL6002772 0.87 TRPC3 (0.44) TRPC3TRPC7LMNAHTTKDM4E
SCHEMBL4721307 0.79 TRPC3 (0.49) TRPC3TRPC7LMNAHTTKDM4E
SCHEMBL6004521 0.76 TRPC3 (0.42) TRPC3TRPC7P2RY12
SCHEMBL4762496 0.76 RAB9A (0.47) LMNAHTTKDM4EHPGDHSD17B10
SCHEMBL6004023 0.73 CPT1A (0.45) TRPC3TRPC7MMP13MMP1RAB9A
SCHEMBL3594917 0.73 SMN1; SMN2 (0.51) LMNAHTTKDM4EHPGDHSD17B10
SCHEMBL4762200 0.72 SMN1; SMN2 (0.45) TRPC3TRPC7LMNAHTTMMP13
SCHEMBL6002792 0.70 SMN1; SMN2 (0.43) TRPC3TRPC7LMNAHTTMMP13
SCHEMBL31163885 0.70 RAB9A (0.69) LMNAKDM4EHPGDMMP13MMP1
SCHEMBL6004413 0.70 MAPK14 (0.56) LMNAHTTHPGDSMN1; SMN2MAPT

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
EP-1871770-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS Kalypsys, Inc. (US) 2008-01-02 EP disclosed
US-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders KALYPSYS, INC. 2006-11-09 US disclosed
WO-2006116355-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS KALYPSYS, INC. (US) 2006-11-02 WO 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 TRPC3 1774/4885TRPC7 2577/4885LMNA 4135/4885

“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.