SCHEMBL22216650

SCHEMBL22216650

CNC(=O)C(OC(C)(C)C)P(=O)(O)O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP8 P22894 1/20 0.33
ANPEP P15144 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
SCHEMBL26973342 0.78 SMN1; SMN2 (0.33) MMP2MMP8
SCHEMBL19961862 0.77 CYP2D6 (0.30)
SCHEMBL20333341 0.77 MMP2 (0.37) MMP2MMP3MMP8ANPEP
SCHEMBL13484759 0.75 FDPS (0.32) ANPEP
SCHEMBL24836139 0.73 MMP2 (0.34) MMP2MMP3MMP8
SCHEMBL26973341 0.71 CYP2C9 (0.44) MMP8
SCHEMBL19010455 0.70 ADAM17 (0.31) MMP2MMP3MMP8
SCHEMBL27325203 0.68
SCHEMBL24983189 0.67 MEN1 (0.31)
SCHEMBL9811847 0.66 MMP8 (0.43) MMP2MMP3MMP8ANPEP

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-11034715-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2021-06-15 US disclosed
US-20200223882-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof ANTENGENE THERAPEUTICS LIMITED (CN) 2020-07-16 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-20200223882-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof NT5E, ENTPD5, NT5C2 MMP2 743/4885MMP3 503/4885MMP8 214/4885
US-11034715-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 MMP2 743/4885MMP3 503/4885MMP8 214/4885

“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.