SCHEMBL4160501

SCHEMBL4160501

Cc1ccc(S(=O)(=O)OC[C@H]2O[C@@H](n3cnc4c(N)nc(F)nc43)[C@@H]3OC(C)(C)O[C@@H]32)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.62
▸ 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 2/20 0.46
▸ P2RX3 P56373 2/20 0.46
▸ P2RX4 Q99571 2/20 0.46
▸ CA5A P35218 1/20 0.46
▸ NT5E P21589 3/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA4 P22748 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ AMD1 P17707 2/20 0.42
▸ ADORA2A P29274 3/20 0.40
▸ ADORA3 P0DMS8 2/20 0.40
▸ ADORA2B P29275 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
SCHEMBL13926698 0.92 RXFP1 (0.61) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL24980457 0.91 RXFP1 (0.59) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL4152356 0.90 RXFP1 (0.60) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL13099188 0.89 RXFP1 (0.58) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL13662861 0.88 RXFP1 (0.78) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL5052452 0.88 RXFP1 (0.78) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL11759931 0.82 RXFP1 (0.63) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL24981046 0.81 RXFP1 (0.56) RXFP1PI4KAPI4K2BPI4K2API4KB
Water SCHEMBL9941081 0.80 RXFP1 (0.61) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL15390016 0.80 RXFP1 (0.61) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2009-02-19 — — 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-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF HPRT1, APRT, NUDT1 RXFP1 2979/4885PI4KA 3581/4885PI4K2B 4436/4885

“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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