SCHEMBL19684899

SCHEMBL19684899

CCCCOc1cccc2c1C(=O)N(C(=O)OC(C)(C)C)[C@@H](C)CO2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 6/20 0.38
KLK7 P49862 6/20 0.36
KLK5 Q9Y337 5/20 0.36
PRSS1 P07477 2/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
KCNH2 Q12809 1/20 0.35
SCN9A Q15858 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR2 P34972 1/20 0.35
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
RORA P35398 1/20 0.34
NR5A1 Q13285 1/20 0.34

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
SCHEMBL19667626 0.85 BRD4 (0.41) PRKCAKLK7KLK5PRSS1PRSS2
SCHEMBL19684900 0.81 KCNH2 (0.40) PRKCAKCNH2SCN9APPARGPPARD
SCHEMBL19684748 0.78 PRKCA (0.36) PRKCAMEN1KMT2ACNR2
SCHEMBL19684910 0.73 KLK7 (0.39) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL20873489 0.72 BRD4 (0.43) PRKCAMEN1KMT2A
SCHEMBL20873490 0.72 BRD4 (0.43) PRKCAMEN1KMT2A
SCHEMBL19684749 0.70 ALDH1A1 (0.41) CNR2
SCHEMBL19684903 0.70 PTK2 (0.37) PPARGPPARD
SCHEMBL19667670 0.67 KLK7 (0.42) KLK7
SCHEMBL23735304 0.65 HSD11B1 (0.39) MEN1KMT2A

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-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2017-12-07 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-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS DUT, NCL, TYMP PRKCA 2338/4885KLK7 3842/4885KLK5 4087/4885

“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.