SCHEMBL866604

SCHEMBL866604

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 2/20 0.50
PI4K2B Q8TCG2 2/20 0.50
PI4K2A Q9BTU6 2/20 0.50
PI4KB Q9UBF8 2/20 0.50
HIF1A Q16665 2/20 0.39
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ADORA2A P29274 2/20 0.35
RXFP1 Q9HBX9 1/20 0.34
P2RX1 P51575 1/20 0.33
P2RX3 P56373 1/20 0.33
P2RX4 Q99571 1/20 0.33
GAA P10253 1/20 0.33
OR51E2 Q9H255 1/20 0.32
AMD1 P17707 2/20 0.31
PNP P00491 1/20 0.31
DPP4 P27487 1/20 0.31
MEN1 O00255 1/20 0.31
SLC28A1 O00337 1/20 0.31

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
SCHEMBL18522114 0.86 HIF1A (0.41) PI4KAPI4K2BPI4K2API4KBHIF1A
SCHEMBL866385 0.83 CA2 (0.49) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL10149282 0.82 PI4KA (0.53) PI4KAPI4K2BPI4K2API4KBHIF1A
SCHEMBL22381816 0.82 HIF1A (0.41) PI4KAPI4K2BPI4K2API4KBHIF1A
SCHEMBL14041743 0.81 PI4KA (0.38) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL18490360 0.81 GAA (0.40) PI4KAPI4K2BPI4K2API4KBHIF1A
SCHEMBL18520983 0.81 GAA (0.40) PI4KAPI4K2BPI4K2API4KBHIF1A
Formycin SCHEMBL14074914 0.79 HIF1A (0.61) PI4KAPI4K2BPI4K2API4KBHIF1A
Formycin SCHEMBL15262901 0.79 HIF1A (0.61) PI4KAPI4K2BPI4K2API4KBHIF1A
Formycin SCHEMBL980049 0.79 HIF1A (0.61) PI4KAPI4K2BPI4K2API4KBHIF1A

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 PI4KA 3835/4885PI4K2B 4393/4885PI4K2A 3886/4885

“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.