SCHEMBL2295889

SCHEMBL2295889

CC1(C)O[C@@H]2[C@H](O1)[C@@H](COS(N)(=O)=O)O[C@H]2n1cnc2c(N)nc(C#Cc3ccccc3)nc21

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.57
ADORA3 P0DMS8 9/20 0.57
ADORA2A P29274 7/20 0.57
ADORA1 P30542 7/20 0.57
GPR17 Q13304 2/20 0.54
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA9 Q16790 1/20 0.48
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 0.46
P2RX3 P56373 1/20 0.46
P2RX4 Q99571 1/20 0.46
ADORA2B P29275 1/20 0.45
P2RY12 Q9H244 1/20 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
SCHEMBL2292923 0.88 ADORA3 (0.71) ADORA3ADORA2AADORA1PI4KAPI4K2B
SCHEMBL2288205 0.86 RXFP1 (0.60) RXFP1ADORA2ACA1CA2CA4
SCHEMBL1798087 0.85 RXFP1 (0.61) RXFP1CA1CA2CA9PI4KA
SCHEMBL2292121 0.84 RXFP1 (0.57) RXFP1ADORA2ACA1CA2CA4
SCHEMBL2293369 0.84 RXFP1 (0.66) RXFP1ADORA3CA1CA2CA4
SCHEMBL12379249 0.80 RXFP1 (0.86) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL2292456 0.80 RXFP1 (0.86) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL18297502 0.79 NAE1 (0.54) RXFP1CA2PI4KAPI4K2BPI4K2A
SCHEMBL13773254 0.78 RXFP1 (0.64) RXFP1ADORA2ACA1CA2CA4
SCHEMBL19938137 0.77 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 2 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

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 141/4885ADORA3 1669/4885ADORA2A 2428/4885

“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.