SCHEMBL24326601

SCHEMBL24326601

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

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.34
CNR2 P34972 11/20 0.33
TLR4 O00206 1/20 0.33
HMGCR P04035 1/20 0.32
CNR1 P21554 1/20 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
SCHEMBL24326027 0.87 CNR2 (0.34) LMNACNR2
SCHEMBL26358020 0.83 ALDH1A1 (0.38) ALDH1A1KMT2ALMNAMAPTCYP2C9
SCHEMBL24325628 0.81 ALDH1A1 (0.48) ALDH1A1KMT2ALMNAMAPTCNR2
SCHEMBL24326600 0.80 CYP2C9 (0.39) ALDH1A1KMT2ALMNAMAPTCYP2C9
SCHEMBL6750673 0.74 TLR4 (0.38) ALDH1A1KMT2ALMNAMAPTCYP2C9
SCHEMBL21243382 0.73 TRPM8 (0.36) ALDH1A1KMT2ALMNAMAPTCYP2C9
SCHEMBL14144838 0.73 PRKCA (0.38) LMNACNR2CNR1
SCHEMBL30457829 0.73 MAPT (0.38) ALDH1A1KMT2ALMNAMAPTCYP2C9
SCHEMBL13561251 0.72 HMGCR (0.44) LMNACNR2HMGCRCNR1
SCHEMBL4763677 0.71 HCAR2 (0.36) ALDH1A1LMNA

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 ALDH1A1 3872/4885KMT2A 4151/4885LMNA 1373/4885

“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.