SCHEMBL19987147

SCHEMBL19987147

CCCC(=O)Nc1ccn([C@@H]2O[C@H](COP(=O)(N[C@@H](C)C(=O)OC(C)C)Oc3ccccc3)C(C)(CO)C2F)c(=O)n1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
BTN3A1 O00481 6/20 0.39
P2RY6 Q15077 4/20 0.35
P2RY14 Q15391 2/20 0.35
NT5E P21589 1/20 0.35
P2RY12 Q9H244 1/20 0.34
P2RY2 P41231 1/20 0.31
P2RY4 P51582 1/20 0.31

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
SCHEMBL21511174 1.00 CYP3A4 (0.48) CYP3A4CYP2C9BTN3A1P2RY6P2RY14
SCHEMBL19987244 0.92 CYP3A4 (0.46) CYP3A4CYP2C9BTN3A1P2RY6P2RY14
SCHEMBL19987165 0.88 CYP3A4 (0.52) CYP3A4CYP2C9BTN3A1NT5E
SCHEMBL19987255 0.88 CYP3A4 (0.52) CYP3A4CYP2C9BTN3A1NT5E
SCHEMBL21511228 0.88 CYP3A4 (0.52) CYP3A4CYP2C9BTN3A1NT5E
SCHEMBL19987178 0.84 CYP3A4 (0.52) CYP3A4CYP2C9BTN3A1
SCHEMBL19987148 0.83 CYP3A4 (0.48) CYP3A4CYP2C9BTN3A1P2RY6P2RY14
SCHEMBL19987334 0.83 CYP3A4 (0.42) CYP3A4CYP2C9BTN3A1P2RY6P2RY12
SCHEMBL19987303 0.83 CYP3A4 (0.42) CYP3A4CYP2C9NT5E
SCHEMBL19987240 0.82 CYP3A4 (0.68) CYP3A4CYP2C9BTN3A1P2RY6P2RY14

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.