SCHEMBL19987216

SCHEMBL19987216

Cc1cn([C@@H]2OC3(C)[C@H](COP(=O)(N[C@@H](C)C(=O)OC(C)C)Oc4ccccc4)C3(CO)C2F)c(=O)[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 2/20 0.53
BTN3A1 O00481 5/20 0.38
NT5M Q9NPB1 1/20 0.32
TYMS P04818 1/20 0.32
RNASE1 P07998 1/20 0.32
TK1 P04183 2/20 0.32

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
SCHEMBL19987273 0.95 CYP3A4 (0.53) CYP3A4CYP2C9BTN3A1NT5MTYMS
SCHEMBL19987263 0.89 CYP3A4 (0.65) CYP3A4CYP2C9BTN3A1
SCHEMBL19987266 0.88 CYP3A4 (0.39) CYP3A4CYP2C9NT5MRNASE1TK1
SCHEMBL19987351 0.86 CYP3A4 (0.55) CYP3A4CYP2C9BTN3A1NT5MTYMS
SCHEMBL21511184 0.86 CYP3A4 (0.55) CYP3A4CYP2C9BTN3A1NT5MTYMS
SCHEMBL19987213 0.86 CYP3A4 (0.55) CYP3A4CYP2C9BTN3A1NT5MTYMS
SCHEMBL19987275 0.84 CYP3A4 (0.65) CYP3A4CYP2C9BTN3A1
SCHEMBL19987179 0.83 CYP3A4 (0.55) CYP3A4CYP2C9BTN3A1NT5MTYMS
SCHEMBL21511185 0.83 CYP3A4 (0.55) CYP3A4CYP2C9BTN3A1NT5MTYMS
SCHEMBL19987208 0.82 CYP3A4 (0.49) 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.