SCHEMBL19987172

SCHEMBL19987172

CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)C(F)C1(C)Cc1nnn[nH]1)Oc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
NT5E P21589 14/20 0.40

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
SCHEMBL19987300 0.93 CYP3A4 (0.41) CYP3A4CYP2C9NT5E
SCHEMBL19987166 0.91 NT5E (0.48) NT5E
SCHEMBL19987203 0.90 NT5E (0.44) CYP3A4CYP2C9NT5E
SCHEMBL19987313 0.90 NT5E (0.44) CYP3A4CYP2C9NT5E
SCHEMBL19987157 0.90 NT5E (0.44) CYP3A4CYP2C9NT5E
SCHEMBL19987209 0.89 NT5E (0.45) CYP3A4CYP2C9NT5E
SCHEMBL19987210 0.88 CYP3A4 (0.40) CYP3A4CYP2C9NT5E
SCHEMBL19987169 0.87 NT5E (0.42) CYP3A4CYP2C9NT5E
SCHEMBL19987271 0.86 NT5E (0.37) CYP3A4CYP2C9NT5E
SCHEMBL19987198 0.86 PDE2A (0.46) CYP3A4CYP2C9NT5E

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-20190322693-A1 NUCLEOSIDE ANALOGUES AND METHODS OF USE THEREOF LCB PHARMA INC. (CA) 2019-10-24 US disclosed
WO-2018049535-A1 NUCLEOSIDE ANALOGUES AND METHODS OF USE THEREOF LCB PHARMA INC. (CA) 2018-03-22 WO 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-20190322693-A1 NUCLEOSIDE ANALOGUES AND METHODS OF USE THEREOF PNP, TYMP, MTAP CYP3A4 3805/4885CYP2C9 4343/4885NT5E 63/4885

“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.