SCHEMBL24917291

SCHEMBL24917291

C[C@@]1(F)[C@H](O)[C@@H](COC(=O)c2ccccc2)O[C@H]1c1cnc2c(N)ncnn12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ ABCB1 P08183 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HSPA2 P54652 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ RPS6KA3 P51812 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ SYNJ2 O15056 3/20 0.33

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
SCHEMBL10149693 0.91 MEN1 (0.38) ALDH1A1ABCB1LMNAHSPA2MEN1
SCHEMBL882554 0.91 MEN1 (0.38) ALDH1A1ABCB1LMNAHSPA2MEN1
SCHEMBL24789720 0.86 CCNT1 (0.34) —
SCHEMBL10187245 0.84 NPC1 (0.36) ALDH1A1POLBHTT
SCHEMBL10149698 0.80 ADORA2A (0.40) MEN1POLBKMT2A
SCHEMBL881460 0.79 ALDH1A1 (0.38) ALDH1A1ABCB1LMNAMEN1USP2
SCHEMBL881488 0.78 MEN1 (0.47) ALDH1A1ABCB1MEN1USP2POLB
SCHEMBL10149599 0.78 CYP3A4 (0.48) —
SCHEMBL881477 0.78 P2RX1 (0.44) —
SCHEMBL10149619 0.77 CYP3A4 (0.55) —

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-20230024722-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS VenatoRx Pharmaceuticals, Inc. 2023-01-26 — — 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-20230024722-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS SLC29A2, SLC29A1, PNP ALDH1A1 2219/4885ABCB1 123/4885LMNA 1629/4885

“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.

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