SCHEMBL21704579

SCHEMBL21704579

CCOC(=O)C(C)NP(=O)(OCC)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 5/20 0.37
METAP1 P53582 4/20 0.37
BTN3A1 O00481 4/20 0.35
MMP8 P22894 1/20 0.35
GAA P10253 2/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
POLB P06746 1/20 0.32
FBP1 P09467 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
HPRT1 P00492 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
SCHEMBL20181801 0.81 BTN3A1 (0.37) METAP2METAP1BTN3A1GAAMGAM
SCHEMBL21704580 0.78 METAP2 (0.30) METAP2METAP1
SCHEMBL19803893 0.77 BTN3A1 (0.55) BTN3A1POLB
SCHEMBL18583754 0.77 BTN3A1 (0.55) BTN3A1POLB
SCHEMBL18583546 0.77 BTN3A1 (0.55) BTN3A1POLB
SCHEMBL18061730 0.77 BTN3A1 (0.55) BTN3A1POLB
SCHEMBL22356079 0.76 METAP2 (0.37) METAP2METAP1BTN3A1GAACYP3A4
SCHEMBL21704812 0.76 BTN3A1 (0.36) METAP2METAP1BTN3A1GAAMGAM
SCHEMBL20181855 0.76 TDP1 (0.39) METAP2METAP1BTN3A1GAACYP3A4
SCHEMBL22413839 0.75 CNR1 (0.33) GAACYP3A4CYP2C9CYP2C19CA12

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-20200048228-A1 ALVOCIDIB PRODRUGS AND THEIR USE AS PROTEIN KINASE INHIBITORS SUMITOMO PHARMA ONCOLOGY, INC. 2020-02-13 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-20200048228-A1 ALVOCIDIB PRODRUGS AND THEIR USE AS PROTEIN KINASE INHIBITORS CDK1, CDK2, CDK3 METAP2 3309/4885METAP1 2390/4885BTN3A1 4189/4885

“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.