SCHEMBL24326600

SCHEMBL24326600

CCC[C@H]1CC[C@H](COC(=O)C(C)(C)N)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.39
ALDH1A1 P00352 4/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 2/20 0.37
KMT2A Q03164 2/20 0.36
HMGCR P04035 2/20 0.33
CNR2 P34972 3/20 0.32
TLR4 O00206 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
SLC1A3 P43003 2/20 0.31
SLC1A2 P43004 2/20 0.31
SLC1A1 P43005 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
SCHEMBL26358020 0.86 ALDH1A1 (0.38) CYP2C9ALDH1A1MAPTLMNAKMT2A
SCHEMBL24326028 0.84 SLC1A3 (0.32) LMNASLC1A3SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL29006945 0.82 LMNA (0.40) LMNACNR2SLC1A3SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL29006999 0.82 LMNA (0.43) LMNAKMT2AMEN1SLC1A3SLC1A2
SCHEMBL24326601 0.80 ALDH1A1 (0.38) CYP2C9ALDH1A1MAPTLMNAKMT2A
Hydrochloric Acid SCHEMBL29006970 0.78 CYP2C9 (0.38) CYP2C9ALDH1A1MAPTLMNAKMT2A
Hydrochloric Acid SCHEMBL29006968 0.78 CYP2C9 (0.38) CYP2C9ALDH1A1MAPTLMNAKMT2A
SCHEMBL6750673 0.77 TLR4 (0.38) CYP2C9ALDH1A1MAPTLMNAKMT2A
SCHEMBL14144838 0.75 PRKCA (0.38) LMNACNR2SLC1A3SLC1A2SLC1A1
SCHEMBL30457829 0.75 MAPT (0.38) CYP2C9ALDH1A1MAPTLMNAKMT2A

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-20220119426-A1 PRODRUGS OF PHOSPHONAMIDE NUCLEOTIDE ANALOGUES AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES, INC. 2022-04-21 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-20220119426-A1 PRODRUGS OF PHOSPHONAMIDE NUCLEOTIDE ANALOGUES AND THEIR PHARMACEUTICAL USE PNP, TYMP, NME2 CYP2C9 901/4885ALDH1A1 3872/4885MAPT 3579/4885

“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.