SCHEMBL22133475

SCHEMBL22133475

COc1nc(Nc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CNS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.50
▸ ADORA2A P29274 1/20 0.50
▸ ADORA2B P29275 1/20 0.50
▸ THPO P40225 1/20 0.50
▸ TRPM2 O94759 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ BLM P54132 1/20 0.50

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
SCHEMBL22133488 0.89 TRPM2 (0.64) TRPM2
SCHEMBL24450924 0.88 TRPM2 (0.51) TRPM2
SCHEMBL22133480 0.86 TRPM2 (0.62) TRPM2
SCHEMBL24450908 0.86 TRPM2 (0.62) TRPM2
SCHEMBL20711343 0.82 ADORA2A (0.66) CYP1A2ADORA2AADORA2BTHPOMEN1
SCHEMBL22837921 0.82 ADORA2A (0.66) CYP1A2ADORA2AADORA2BTHPOMEN1
SCHEMBL22133482 0.81 TRPM2 (0.50) TRPM2
SCHEMBL22133478 0.81 TRPM2 (0.61) TRPM2
SCHEMBL22133471 0.81 TRPM2 (0.61) TRPM2
SCHEMBL22133472 0.80 TRPM2 (0.61) TRPM2

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-20220162209-A1 SALICYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2022-05-26 — — US disclosed
WO-2020132603-A2 SALICYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2020-06-25 — — 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-20220162209-A1 SALICYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF ADSL, SLC35B2, ADORA1 CYP1A2 2270/4885ADORA2A 9/4885ADORA2B 10/4885

“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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