SCHEMBL19987310

SCHEMBL19987310

CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C(F)(F)C1(C)COP(=O)(N[C@@H](C)C(=O)OC(C)C)Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
BTN3A1 O00481 1/20 0.40
AHCY P23526 1/20 0.38
P2RY12 Q9H244 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
P2RY2 P41231 1/20 0.36
P2RY1 P47900 1/20 0.36
P2RX3 P56373 2/20 0.36
P2RX4 Q99571 2/20 0.36
P2RX1 P51575 1/20 0.36
P2RX2 Q9UBL9 1/20 0.36
STING1 Q86WV6 2/20 0.36

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
SCHEMBL19987217 0.95 CYP3A4 (0.48) CYP3A4CYP2C9BTN3A1AHCYP2RY12
SCHEMBL19987195 0.91 CYP3A4 (0.47) CYP3A4CYP2C9BTN3A1ADORA2A
SCHEMBL19987311 0.89 CYP3A4 (0.46) CYP3A4CYP2C9BTN3A1ADORA3P2RX3
SCHEMBL16080921 0.85 CYP3A4 (0.56) CYP3A4CYP2C9AHCYP2RY12ADORA2A
SCHEMBL16080918 0.85 CYP3A4 (0.56) CYP3A4CYP2C9AHCYP2RY12ADORA2A
SCHEMBL16080959 0.85 CYP3A4 (0.56) CYP3A4CYP2C9AHCYP2RY12ADORA2A
SCHEMBL16777510 0.84 CYP3A4 (0.66) CYP3A4CYP2C9BTN3A1AHCYP2RY12
SCHEMBL16777609 0.84 CYP3A4 (0.66) CYP3A4CYP2C9BTN3A1AHCYP2RY12
SCHEMBL16777592 0.84 CYP3A4 (0.66) CYP3A4CYP2C9BTN3A1AHCYP2RY12
SCHEMBL16777677 0.84 CYP3A4 (0.66) CYP3A4CYP2C9BTN3A1AHCYP2RY12

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.