SCHEMBL23646958

SCHEMBL23646958

COC(=O)C1CCC(c2nc3c(o2)CC(C(=O)O)CC3)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 2/20 0.38
TNK2 Q07912 2/20 0.33
RORC P51449 1/20 0.32
PPM1B O75688 1/20 0.32
PTPN1 P18031 1/20 0.32
PPP1CC P36873 1/20 0.32
ADORA1 P30542 1/20 0.32
CYP1A2 P05177 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PDGFRB P09619 1/20 0.30
PDGFRA P16234 1/20 0.30

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
SCHEMBL21563070 1.00 PDK1 (0.38) PDK1TNK2RORCPPM1BPTPN1
SCHEMBL23646957 0.90 PDK1 (0.38) PDK1RORCCYP1A2
SCHEMBL21562872 0.90 PDK1 (0.38) PDK1RORCCYP1A2
SCHEMBL21562989 0.87 ADORA1 (0.32) PDK1ADORA1
SCHEMBL23647008 0.87 ADORA1 (0.32) PDK1ADORA1
SCHEMBL23646969 0.82 FAAH (0.37) PDK1TNK2CYP1A2NPC1RAB9A
SCHEMBL21563069 0.82 FAAH (0.37) PDK1TNK2CYP1A2NPC1RAB9A
SCHEMBL23647009 0.79 PDK1 (0.31) PDK1
SCHEMBL21562869 0.79 PDK1 (0.31) PDK1
SCHEMBL21562870 0.78 PDK1 (0.39) PDK1CYP1A2

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-20210220356-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2021-07-22 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-20210220356-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES DPYD, TYMP, HAVCR2 PDK1 214/4885TNK2 1944/4885RORC 185/4885

“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.