SCHEMBL20699831

SCHEMBL20699831

CC(C)(C)OC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)NS(N)(=O)=O)[C@H]2OC(C)(C)O[C@H]21

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.52
▸ PI4KA P42356 1/20 0.47
▸ PI4K2B Q8TCG2 1/20 0.47
▸ PI4K2A Q9BTU6 1/20 0.47
▸ PI4KB Q9UBF8 1/20 0.47
▸ P2RX1 P51575 1/20 0.47
▸ P2RX3 P56373 1/20 0.47
▸ P2RX4 Q99571 1/20 0.47
▸ ADORA1 P30542 5/20 0.41
▸ DOT1L Q8TEK3 1/20 0.40
▸ P2RY12 Q9H244 1/20 0.40
▸ NT5E P21589 1/20 0.40
▸ AMD1 P17707 2/20 0.40

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
SCHEMBL19302804 0.91 RXFP1 (0.59) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL19302803 0.87 RXFP1 (0.51) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL4896950 0.87 PI4KA (0.54) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL12379190 0.87 PI4KA (0.54) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL24450929 0.86 RXFP1 (0.49) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL29695854 0.86 RXFP1 (0.49) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL18571809 0.86 PI4KA (0.62) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL20699834 0.86 PI4KA (0.62) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL18069462 0.86 PI4KA (0.52) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL12379237 0.86 PI4KA (0.62) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10874686-B2 Anthranilyl-adenosinemonosulfamate analogs and uses thereof MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2020-12-29 — — US disclosed
US-20190038656-A1 ANTHRANILYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF Memorial Slooan-Kettering Cancer Center (US) 2019-02-07 — — 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 (2 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-10874686-B2 Anthranilyl-adenosinemonosulfamate analogs and uses thereof ATIC, SLC35B2, ADORA1 RXFP1 3073/4885PI4KA 2340/4885PI4K2B 3618/4885
US-20190038656-A1 ANTHRANILYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF ATIC, SLC35B2, ADORA1 RXFP1 3073/4885PI4KA 2340/4885PI4K2B 3618/4885

“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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