SCHEMBL19987174

SCHEMBL19987174

CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2cc(F)c(N)nc2=O)C(F)C1(C)COCc1ccccc1)Oc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
BTN3A1 O00481 6/20 0.37
P2RY6 Q15077 2/20 0.35
P2RY14 Q15391 2/20 0.35
NT5E P21589 1/20 0.35
SERPINA3 P01011 1/20 0.33
ST6GAL1 P15907 2/20 0.30

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
SCHEMBL19987175 0.91 CYP3A4 (0.49) CYP3A4CYP2C9BTN3A1ST6GAL1
SCHEMBL19987148 0.91 CYP3A4 (0.48) CYP3A4CYP2C9BTN3A1P2RY6P2RY14
SCHEMBL19987177 0.88 CYP3A4 (0.45) CYP3A4CYP2C9BTN3A1P2RY6P2RY14
SCHEMBL21511279 0.88 CYP3A4 (0.47) CYP3A4CYP2C9BTN3A1P2RY6
SCHEMBL19987372 0.88 CYP3A4 (0.44) CYP3A4CYP2C9BTN3A1P2RY6P2RY14
SCHEMBL19987347 0.86 CYP3A4 (0.44) CYP3A4CYP2C9BTN3A1P2RY6P2RY14
SCHEMBL21511154 0.86 CYP3A4 (0.50) CYP3A4CYP2C9BTN3A1P2RY6P2RY14
SCHEMBL19987178 0.85 CYP3A4 (0.52) CYP3A4CYP2C9BTN3A1ST6GAL1
SCHEMBL19987198 0.84 PDE2A (0.46) CYP3A4CYP2C9NT5E
SCHEMBL19987200 0.84 CYP3A4 (0.45) CYP3A4CYP2C9BTN3A1

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 4343/4885BTN3A1 2556/4885

“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.