SCHEMBL25914985

SCHEMBL25914985

C[C@@]1(F)[C@H](O)[C@@H](COC(=O)c2ccccc2)O[C@@]1(O)c1ccc2c(N)ncnn12

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.38
▸ RIPK1 Q13546 3/20 0.36
▸ TNK2 Q07912 2/20 0.34
▸ HSPA2 P54652 1/20 0.34
▸ ABCB1 P08183 1/20 0.33
▸ SLC22A1 O15245 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 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
SCHEMBL18697905 1.00 ALDH1A1 (0.38) ALDH1A1RIPK1TNK2HSPA2ABCB1
SCHEMBL14996153 0.91 ALDH1A1 (0.36) ALDH1A1RIPK1TNK2
SCHEMBL24791260 0.91 ALDH1A1 (0.36) ALDH1A1RIPK1TNK2
SCHEMBL881372 0.91 ALDH1A1 (0.36) ALDH1A1RIPK1TNK2
SCHEMBL24168927 0.89 ALDH1A1 (0.35) ALDH1A1RIPK1TNK2SLC22A1
SCHEMBL10187389 0.84 NPC1 (0.39) ALDH1A1RIPK1TNK2
SCHEMBL17617320 0.84 ALDH1A1 (0.36) ALDH1A1RIPK1TNK2
SCHEMBL12398186 0.84 RIPK1 (0.35) RIPK1TNK2
SCHEMBL15084410 0.84 RIPK1 (0.35) RIPK1TNK2
SCHEMBL10171966 0.83 ALDH1A1 (0.36) ALDH1A1RIPK1TNK2

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-20230233593-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS VenatoRx Pharmaceuticals, Inc. 2023-07-27 — — 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-20230233593-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS SLC29A2, SLC29A1, PNP ALDH1A1 2219/4885RIPK1 2571/4885TNK2 2083/4885

“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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