SCHEMBL10149443

SCHEMBL10149443

CC[C@H]1OC(c2cnn3c(SC)ncnc23)[C@@H]2OC(C)(C)O[C@H]12

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 1/20 0.35
▸ PI4K2B Q8TCG2 1/20 0.35
▸ PI4K2A Q9BTU6 1/20 0.35
▸ PI4KB Q9UBF8 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
SCHEMBL867416 0.77 PI4KA (0.49) PI4KAPI4K2BPI4K2API4KB
SCHEMBL15548668 0.74 ADK (0.44) PI4KAPI4K2BPI4K2API4KB
SCHEMBL19343839 0.71 PI4KA (0.39) PI4KAPI4K2BPI4K2API4KB
SCHEMBL10149447 0.66 PI4KA (0.31) PI4KAPI4K2BPI4K2API4KB
SCHEMBL16708529 0.64 — —
SCHEMBL17465420 0.64 PI4KA (0.39) PI4KAPI4K2BPI4K2API4KB
SCHEMBL16708543 0.63 POLRMT (0.37) PI4KAPI4K2BPI4K2API4KB
SCHEMBL18571686 0.61 PI4KA (0.37) PI4KAPI4K2BPI4K2API4KB
SCHEMBL15605871 0.60 PI4KA (0.49) PI4KAPI4K2BPI4K2API4KB
SCHEMBL15082810 0.60 PI4KA (0.52) PI4KAPI4K2BPI4K2API4KB

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.

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