SCHEMBL10183868

SCHEMBL10183868

CC1(C)O[C@@H]2[C@@H](CO)OC(C(C#N)=CO)[C@@H]2O1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 1/20 0.32
▸ PI4K2B Q8TCG2 1/20 0.32
▸ PI4K2A Q9BTU6 1/20 0.32
▸ PI4KB Q9UBF8 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TDP1 Q9NUW8 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
SCHEMBL10149458 0.88 — —
SCHEMBL10183344 0.82 — —
SCHEMBL10184229 0.80 — —
SCHEMBL10183869 0.79 CA2 (0.32) —
SCHEMBL10183834 0.78 PI4KA (0.31) PI4KAPI4K2BPI4K2API4KB
SCHEMBL14154548 0.74 PI4KA (0.35) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL14113304 0.74 PI4KA (0.35) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL29420121 0.74 PI4KA (0.35) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL18026288 0.73 — —
SCHEMBL24686932 0.73 PI4KA (0.41) PI4KAPI4K2BPI4K2API4KBALDH1A1

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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