SCHEMBL866385

SCHEMBL866385

CC1(C)O[C@@H]2[C@H](O1)[C@@H](COS(N)(=O)=O)O[C@H]2c1n[nH]c2c(N)ncnc12

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.49
CA1 P00915 1/20 0.49
CA9 Q16790 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48
ATG7 O95352 13/20 0.37
P2RX1 P51575 1/20 0.37
P2RX3 P56373 1/20 0.37
P2RX4 Q99571 1/20 0.37
PI4KA P42356 1/20 0.37
PI4K2B Q8TCG2 1/20 0.37
PI4K2A Q9BTU6 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
APOBEC3G Q9HC16 1/20 0.35

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
SCHEMBL866604 0.83 PI4KA (0.50) RXFP1P2RX1P2RX3P2RX4PI4KA
SCHEMBL866845 0.81 ATG7 (0.51) ATG7
SCHEMBL866897 0.79 RXFP1 (0.48) CA2CA1CA9RXFP1ATG7
SCHEMBL14041559 0.73 RXFP1 (0.36) CA2CA1CA9RXFP1APOBEC3G
SCHEMBL12379249 0.72 RXFP1 (0.86) RXFP1P2RX1P2RX3P2RX4PI4KA
SCHEMBL2292456 0.72 RXFP1 (0.86) RXFP1P2RX1P2RX3P2RX4PI4KA
SCHEMBL18522114 0.70 HIF1A (0.41) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL2290806 0.69 RXFP1 (0.61) CA2CA1CA9RXFP1ATG7
SCHEMBL20142322 0.69 ATG7 (0.70) RXFP1ATG7
SCHEMBL22381736 0.68 P2RX3 (0.47) P2RX1P2RX3P2RX4

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-20120077814-A1 SULFONAMIDE, SULFAMATE, AND SULFAMOTHIOATE DERIVATIVES WANG ZHONG (US) 2012-03-29 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-20120077814-A1 SULFONAMIDE, SULFAMATE, AND SULFAMOTHIOATE DERIVATIVES NEDD8, NAE1, UBA3 CA2 1864/4885CA1 1182/4885CA9 1038/4885

“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.