SCHEMBL24325628

SCHEMBL24325628

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
KMT2A Q03164 3/20 0.48
CNR2 P34972 8/20 0.35
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
EPHX1 P07099 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
DRD2 P14416 1/20 0.32

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
SCHEMBL24325627 0.87 CTSS (0.35) ALDH1A1KMT2ACNR2CTSSCTSK
SCHEMBL25273708 0.83 KMT2A (0.48) ALDH1A1KMT2ACTSSCTSKMEN1
SCHEMBL24326572 0.83 KMT2A (0.48) ALDH1A1KMT2ACTSSCTSKMEN1
SCHEMBL24326601 0.81 ALDH1A1 (0.38) ALDH1A1KMT2ACNR2LMNAMAPT
SCHEMBL26358020 0.77 ALDH1A1 (0.38) ALDH1A1KMT2ACNR2LMNAMAPT
SCHEMBL32662480 0.76 CA1 (0.39) ALDH1A1KMT2ACTSSCTSKCA12
SCHEMBL17712278 0.75 PKM (0.46) ALDH1A1KMT2AMEN1TSHRCA12
SCHEMBL24326600 0.74 CYP2C9 (0.39) ALDH1A1KMT2ACNR2MEN1LMNA
SCHEMBL17987979 0.73 KMT2A (0.55) ALDH1A1KMT2ACTSKEPHX1CA1
SCHEMBL12844020 0.73 KMT2A (0.55) ALDH1A1KMT2ACTSKEPHX1CA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303599-A1 PRODRUGS OF PHOSPHONAMIDE NUCLEOTIDE ANALOGUES AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES, INC. 2023-09-28 US disclosed
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 (2 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 4151/4885CNR2 3522/4885
US-20230303599-A1 PRODRUGS OF PHOSPHONAMIDE NUCLEOTIDE ANALOGUES AND THEIR PHARMACEUTICAL USE PNP, TYMP, NME2 ALDH1A1 3872/4885KMT2A 4151/4885CNR2 3522/4885

“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.