SCHEMBL19987164

SCHEMBL19987164

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
STING1 Q86WV6 3/20 0.40
AHCY P23526 2/20 0.40
P2RX3 P56373 2/20 0.39
P2RX4 Q99571 2/20 0.39
P2RX2 Q9UBL9 1/20 0.39
P2RY12 Q9H244 2/20 0.39
P2RY2 P41231 1/20 0.38
P2RY1 P47900 1/20 0.38
P2RX1 P51575 1/20 0.38
BTN3A1 O00481 1/20 0.38

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
SCHEMBL19987288 0.94 CYP3A4 (0.44) CYP3A4CYP2C9STING1AHCYP2RX3
SCHEMBL19987167 0.93 CYP3A4 (0.43) CYP3A4CYP2C9STING1P2RX3P2RX4
SCHEMBL21511161 0.91 CYP3A4 (0.43) CYP3A4CYP2C9STING1AHCYP2RX3
SCHEMBL19987173 0.89 P2RY12 (0.39) P2RX3P2RX4P2RX2P2RY12P2RY2
SCHEMBL21511203 0.89 CYP3A4 (0.40) CYP3A4CYP2C9
SCHEMBL19987222 0.86 CYP3A4 (0.43) CYP3A4CYP2C9STING1AHCYP2RX3
SCHEMBL19987308 0.85 CYP3A4 (0.45) CYP3A4CYP2C9P2RY12BTN3A1
SCHEMBL21511201 0.85 CYP3A4 (0.45) CYP3A4CYP2C9P2RY12BTN3A1
SCHEMBL19987218 0.85 CYP3A4 (0.45) CYP3A4CYP2C9P2RY12BTN3A1
SCHEMBL19987313 0.84 NT5E (0.44) CYP3A4CYP2C9

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 4343/4885STING1 632/4885

“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.