SCHEMBL4762200

SCHEMBL4762200

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
MMP13 P45452 2/20 0.44
CYP2C19 P33261 1/20 0.43
TRPC3 Q13507 1/20 0.42
TRPC7 Q9HCX4 1/20 0.42
MMP1 P03956 1/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
GRIN2B Q13224 6/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 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
SCHEMBL6004395 0.85 TSHR (0.43) SMN1; SMN2MMP13MMP1LMNATSHR
SCHEMBL6002792 0.79 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9AMMP13CYP2C19
SCHEMBL3594917 0.76 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL22589174 0.75 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ACYP2C19TRPC3
SCHEMBL4721307 0.72 TRPC3 (0.49) SMN1; SMN2NPC1RAB9AMMP13TRPC3
SCHEMBL9256664 0.72 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL4717811 0.72 TRPC3 (0.51) SMN1; SMN2NPC1RAB9AMMP13TRPC3
SCHEMBL6004013 0.70 MMP13 (0.42) SMN1; SMN2NPC1RAB9AMMP13TRPC3
SCHEMBL630697 0.69 SMN1; SMN2 (0.73) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL3656140 0.69 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19HTT

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 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.