SCHEMBL5408627

SCHEMBL5408627

CCc1c(O[C@H]2CC[C@@H](NC(C)=O)CC2)ccc2[nH]ncc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
CDK2 P24941 1/20 0.38
FLT3 P36888 1/20 0.38
CCNA1 P78396 1/20 0.38
ERN1 O75460 1/20 0.38
TRPV1 Q8NER1 6/20 0.37
MAP4K1 Q92918 2/20 0.36
AXL P30530 1/20 0.36
TYRO3 Q06418 1/20 0.36
MERTK Q12866 1/20 0.36
TLR7 Q9NYK1 3/20 0.36
TLR9 Q9NR96 2/20 0.36
RORC P51449 1/20 0.36
BRD4 O60885 1/20 0.35
MAPK14 Q16539 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
TLR8 Q9NR97 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
SCHEMBL5408626 1.00 CYP4F2 (0.38) CYP4F2CYP4A11CDK2FLT3CCNA1
SCHEMBL5419667 1.00 CYP4F2 (0.38) CYP4F2CYP4A11CDK2FLT3CCNA1
SCHEMBL5419481 0.90 PIK3CD (0.38) TRPV1MAP4K1AXLTYRO3MERTK
SCHEMBL5419485 0.90 PIK3CD (0.38) TRPV1MAP4K1AXLTYRO3MERTK
SCHEMBL5419469 0.88 AXL (0.41) CYP4F2CYP4A11CDK2FLT3CCNA1
SCHEMBL5419632 0.88 AXL (0.41) CYP4F2CYP4A11CDK2FLT3CCNA1
SCHEMBL5419472 0.88 AXL (0.41) CYP4F2CYP4A11CDK2FLT3CCNA1
SCHEMBL5418019 0.88 TRPV1 (0.39) CDK2FLT3CCNA1TRPV1TLR7
SCHEMBL5418023 0.88 TRPV1 (0.39) CDK2FLT3CCNA1TRPV1TLR7
SCHEMBL5418015 0.88 TRPV1 (0.39) CDK2FLT3CCNA1TRPV1TLR7

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
US-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 US disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 EP 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-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA CYP4F2 3069/4885CYP4A11 1289/4885CDK2 443/4885

“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.