SCHEMBL2291832

SCHEMBL2291832

CC1(C)O[C@@H]2[C@H](O1)[C@@H](C(OS(N)(=O)=O)C1CC1)O[C@H]2n1cnc2c(N)ncnc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.57
PI4KA P42356 1/20 0.55
PI4K2B Q8TCG2 1/20 0.55
PI4K2A Q9BTU6 1/20 0.55
PI4KB Q9UBF8 1/20 0.55
P2RX3 P56373 3/20 0.49
P2RX1 P51575 2/20 0.49
P2RX4 Q99571 2/20 0.49
AMD1 P17707 2/20 0.48
AHCY P23526 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
NFKB1 P19838 1/20 0.42
THPO P40225 1/20 0.42
BLM P54132 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
RAPGEF3 O95398 1/20 0.41

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
SCHEMBL2291588 0.81 RXFP1 (0.53) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL2294899 0.81 RXFP1 (0.53) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL9874531 0.79 PI4KA (0.67) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL2291251 0.78 PI4KA (0.63) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL18009817 0.78 PI4KA (0.69) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL5034920 0.78 PI4KA (0.69) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL21413864 0.78 PI4KA (0.69) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL18026181 0.78 PI4KA (0.69) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL2292456 0.78 RXFP1 (0.86) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL12379249 0.78 RXFP1 (0.86) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989430-B2 Antibacterial agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2011-08-02 US disclosed
US-20080293666-A1 Antibacterial Agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-11-27 US disclosed
EP-1960518-A2 ANTIBACTERIAL AGENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-08-27 EP disclosed
WO-2007067559-A2 ANTIBACTERIAL AGENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2007-06-14 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-20080293666-A1 Antibacterial Agents MRPL21, ABCB7, MSR1 RXFP1 141/4885PI4KA 4490/4885PI4K2B 3867/4885

“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.