SCHEMBL19987263

SCHEMBL19987263

CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@H]1C2(C)O[C@@H](n3ccc(=O)[nH]c3=O)C(F)C12CO)Oc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.65
CYP2C9 P11712 2/20 0.65
BTN3A1 O00481 3/20 0.39
P2RY2 P41231 4/20 0.39
P2RY14 Q15391 3/20 0.39
P2RY6 Q15077 2/20 0.39
P2RY12 Q9H244 3/20 0.34
ENTPD2 Q9Y5L3 1/20 0.34

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
SCHEMBL19987275 0.94 CYP3A4 (0.65) CYP3A4CYP2C9BTN3A1P2RY2P2RY14
SCHEMBL19987216 0.89 CYP3A4 (0.53) CYP3A4CYP2C9BTN3A1
SCHEMBL19987208 0.86 CYP3A4 (0.49) CYP3A4CYP2C9BTN3A1
SCHEMBL19987289 0.86 CYP3A4 (0.49) CYP3A4CYP2C9BTN3A1
SCHEMBL19987240 0.85 CYP3A4 (0.68) CYP3A4CYP2C9BTN3A1P2RY2P2RY14
SCHEMBL19987220 0.85 CYP3A4 (0.68) CYP3A4CYP2C9BTN3A1P2RY2P2RY14
SCHEMBL19987241 0.84 CYP3A4 (0.70) CYP3A4CYP2C9BTN3A1P2RY2P2RY14
SCHEMBL19987273 0.84 CYP3A4 (0.53) CYP3A4CYP2C9BTN3A1
SCHEMBL19987156 0.82 CYP3A4 (0.68) CYP3A4CYP2C9BTN3A1P2RY2P2RY14
SCHEMBL21511188 0.82 CYP3A4 (0.68) CYP3A4CYP2C9BTN3A1P2RY2P2RY14

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.