SCHEMBL23913696

SCHEMBL23913696

CS(C)(C)CCOCn1nc(CCO)c(=O)c2ccc(F)cc21

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 5/20 0.34
MAPK9 P45984 5/20 0.34
MAPK10 P53779 2/20 0.34
ATM Q13315 1/20 0.33
PDE5A O76074 1/20 0.31
PER2 O15055 2/20 0.31
CRY1 Q16526 2/20 0.31
CRY2 Q49AN0 2/20 0.31

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
SCHEMBL23915534 0.87 PTGDR2 (0.39) MAPK8MAPK9MAPK10
SCHEMBL23913695 0.86 DGAT1 (0.36) MAPK8MAPK9MAPK10ATMPDE5A
SCHEMBL23915023 0.85 ATM (0.33) MAPK8MAPK9MAPK10ATM
SCHEMBL23914648 0.85 MAPK8 (0.36) MAPK8MAPK9MAPK10ATM
SCHEMBL23914489 0.85 SLC16A3 (0.33)
SCHEMBL23915532 0.76 CMA1 (0.32)
SCHEMBL23915533 0.73 AKR1B1 (0.39)
SCHEMBL23915000 0.72 DGAT1 (0.36) ATMPDE5A
SCHEMBL23914490 0.71 MAPT (0.44)
SCHEMBL23908827 0.70 NPC1 (0.43) PDE5A

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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 MAPK8 4275/4885MAPK9 3972/4885MAPK10 3337/4885

“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.