SCHEMBL22133775

SCHEMBL22133775

CN(C[C@H]1O[C@@H](n2cnc3c(NC(=O)OC(C)(C)C)ncnc32)[C@@H]2OC(C)(C)O[C@@H]21)S(=O)(=O)NC(=O)c1ccccc1OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 8/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.38
▸ ADORA3 P0DMS8 2/20 0.38
▸ P2RY2 P41231 1/20 0.38
▸ PI4KA P42356 1/20 0.37
▸ PI4K2B Q8TCG2 1/20 0.37
▸ PI4K2A Q9BTU6 1/20 0.37
▸ PI4KB Q9UBF8 1/20 0.37
▸ DNPH1 O43598 1/20 0.37

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
SCHEMBL29695801 1.00 P2RY12 (0.39) P2RY12RXFP1ADORA3P2RY2PI4KA
SCHEMBL22133776 0.90 TRPM2 (0.44) RXFP1
SCHEMBL29695843 0.90 DOT1L (0.42) P2RY12RXFP1ADORA3P2RY2PI4KA
SCHEMBL12379229 0.86 P2RY12 (0.44) P2RY12P2RY2
SCHEMBL24450929 0.83 RXFP1 (0.49) P2RY12RXFP1PI4KAPI4K2BPI4K2A
SCHEMBL29695854 0.83 RXFP1 (0.49) P2RY12RXFP1PI4KAPI4K2BPI4K2A
SCHEMBL14005602 0.79 P2RY12 (0.43) P2RY12
SCHEMBL14005604 0.79 P2RY12 (0.44) P2RY12ADORA3
SCHEMBL22837891 0.78 RXFP1 (0.51) RXFP1
SCHEMBL12379185 0.78 RXFP1 (0.39) P2RY12RXFP1PI4KAPI4K2BPI4K2A

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 P2RY12 312/4885RXFP1 3582/4885ADORA3 8/4885

“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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