SCHEMBL31756731

SCHEMBL31756731

CC1(C)O[C@H]2[C@@H](COC(=O)C(C)(C)C)C[C@@H](n3cnc4c(N)ncnc43)[C@H]2O1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.49
PI4KA P42356 1/20 0.48
PI4K2B Q8TCG2 1/20 0.48
PI4K2A Q9BTU6 1/20 0.48
PI4KB Q9UBF8 1/20 0.48
AHCY P23526 6/20 0.48
ADORA2B P29275 1/20 0.46
STING1 Q86WV6 6/20 0.46
P2RX1 P51575 1/20 0.46
P2RX3 P56373 1/20 0.46
P2RX4 Q99571 1/20 0.46
AMD1 P17707 2/20 0.43

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
SCHEMBL31756630 1.00 RXFP1 (0.49) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL31756696 0.84 PI4KA (0.55) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL26811459 0.84 PI4KA (0.55) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL26811445 0.84 PI4KA (0.55) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL31756651 0.83 AHCY (0.64) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL14520301 0.83 AHCY (0.64) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL31756504 0.83 AHCY (0.64) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL22883255 0.83 AHCY (0.64) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL26811312 0.83 AHCY (0.64) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL17889824 0.81 RXFP1 (0.40) RXFP1PI4KAPI4K2BPI4K2API4KB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260000698-A1 SARS-COV-2 NSP14 METHYLTRANSFERASE INHIBITORS UNIV MINNESOTA (US) 2026-01-01 US 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-20260000698-A1 SARS-COV-2 NSP14 METHYLTRANSFERASE INHIBITORS NSUN2, SARS1, RNMT RXFP1 3552/4885PI4KA 2862/4885PI4K2B 2542/4885

“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.