SCHEMBL2293369

SCHEMBL2293369

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

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.66
CA2 P00918 3/20 0.55
CA1 P00915 2/20 0.55
CA9 Q16790 2/20 0.55
CA4 P22748 1/20 0.55
PI4KA P42356 1/20 0.53
PI4K2B Q8TCG2 1/20 0.53
PI4K2A Q9BTU6 1/20 0.53
PI4KB Q9UBF8 1/20 0.53
P2RX1 P51575 1/20 0.51
P2RX3 P56373 1/20 0.51
P2RX4 Q99571 1/20 0.51
SARS1 P49591 1/20 0.51
LARS1 Q9P2J5 1/20 0.51
IARS1 P41252 1/20 0.51
ADORA3 P0DMS8 4/20 0.50
MARS1 P56192 1/20 0.49
NT5E P21589 1/20 0.49
AMD1 P17707 2/20 0.45

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
SCHEMBL2292456 0.87 RXFP1 (0.86) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL12379249 0.87 RXFP1 (0.86) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL2288205 0.86 RXFP1 (0.60) RXFP1CA2CA1CA9CA4
SCHEMBL1798431 0.85 RXFP1 (0.70) RXFP1CA2CA1CA9CA4
SCHEMBL1800279 0.85 RXFP1 (0.70) RXFP1CA2CA1CA9CA4
SCHEMBL25242659 0.84 PI4KA (0.74) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL13296260 0.84 PI4KA (0.74) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL13314808 0.84 PI4KA (0.74) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL2111246 0.84 PI4KA (0.74) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL24146587 0.84 PI4KA (0.74) 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 141/4885CA2 1905/4885CA1 4489/4885

“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.