SCHEMBL19987311

SCHEMBL19987311

CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)C(F)(F)C1(C)COP(=O)(N[C@@H](C)C(=O)OC(C)C)Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
ADORA3 P0DMS8 4/20 0.44
DNPH1 O43598 1/20 0.43
NT5E P21589 1/20 0.42
P2RX3 P56373 1/20 0.41
P2RX2 Q9UBL9 1/20 0.41
TSHR P16473 1/20 0.39
BTN3A1 O00481 1/20 0.39
IARS1 P41252 1/20 0.39

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
SCHEMBL19987310 0.89 CYP3A4 (0.48) CYP3A4CYP2C9ADORA3P2RX3P2RX2
SCHEMBL19987349 0.87 CYP3A4 (0.44) CYP3A4CYP2C9ADORA3DNPH1NT5E
SCHEMBL19987160 0.87 DNPH1 (0.46) CYP3A4CYP2C9ADORA3DNPH1NT5E
SCHEMBL19987319 0.85 CYP3A4 (0.42) CYP3A4CYP2C9ADORA3DNPH1NT5E
SCHEMBL19987217 0.84 CYP3A4 (0.48) CYP3A4CYP2C9ADORA3BTN3A1
SCHEMBL19987378 0.84 DNPH1 (0.44) CYP3A4CYP2C9ADORA3DNPH1NT5E
SCHEMBL19987195 0.83 CYP3A4 (0.47) CYP3A4CYP2C9NT5EBTN3A1
SCHEMBL26029321 0.81 CYP3A4 (0.64) CYP3A4CYP2C9ADORA3DNPH1NT5E
SCHEMBL26029347 0.81 CYP3A4 (0.64) CYP3A4CYP2C9ADORA3DNPH1NT5E
SCHEMBL26029344 0.81 CYP3A4 (0.64) CYP3A4CYP2C9ADORA3DNPH1NT5E

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 4343/4885ADORA3 156/4885

“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.