SCHEMBL2288205

SCHEMBL2288205

CC1(C)O[C@@H]2[C@H](O1)[C@@H](COS(N)(=O)=O)O[C@H]2n1cnc2c(N)nc(-c3ccccc3)nc21

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.60
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA9 Q16790 1/20 0.50
PI4KA P42356 1/20 0.49
PI4K2B Q8TCG2 1/20 0.49
PI4K2A Q9BTU6 1/20 0.49
PI4KB Q9UBF8 1/20 0.49
P2RX1 P51575 1/20 0.47
P2RX3 P56373 1/20 0.47
P2RX4 Q99571 1/20 0.47
IMPDH2 P12268 1/20 0.44
IMPDH1 P20839 1/20 0.44
CD99 P14209 1/20 0.42
ADORA2A P29274 1/20 0.42

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
SCHEMBL2295889 0.86 RXFP1 (0.57) RXFP1CA1CA2CA4CA9
SCHEMBL2292121 0.86 RXFP1 (0.57) RXFP1CA1CA2CA4CA9
SCHEMBL2293369 0.86 RXFP1 (0.66) RXFP1CA1CA2CA4CA9
SCHEMBL2294904 0.86 PI4KA (0.66) PI4KAPI4K2BPI4K2API4KBCD99
SCHEMBL12379249 0.82 RXFP1 (0.86) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL2292456 0.82 RXFP1 (0.86) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL13773254 0.79 RXFP1 (0.64) RXFP1CA1CA2CA4CA9
SCHEMBL19941645 0.79 RXFP1 (0.59) RXFP1CA1CA2CA4CA9
SCHEMBL19941646 0.79 RXFP1 (0.59) RXFP1CA1CA2CA4CA9
SCHEMBL19938137 0.79 RXFP1 (0.59) RXFP1CA1CA2CA4CA9

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 141/4885CA1 4489/4885CA2 1905/4885

“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.