SCHEMBL866241

SCHEMBL866241

CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[C@H]2c1csc2c(N)ncnc12

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.34
PI4KA P42356 1/20 0.33
PI4K2B Q8TCG2 1/20 0.33
PI4K2A Q9BTU6 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
P2RX1 P51575 1/20 0.32
P2RX3 P56373 1/20 0.32
P2RX4 Q99571 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL19644587 0.88 RXFP1 (0.36) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL866642 0.86 RXFP1 (0.36) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL867389 0.81 AURKA (0.36)
SCHEMBL865300 0.80 ALDH1A1 (0.32) ALDH1A1
SCHEMBL17465420 0.80 PI4KA (0.39) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL26812952 0.80 PI4KA (0.39) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL866897 0.79 RXFP1 (0.48) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL867517 0.79 PI4KA (0.50) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL28716552 0.79 ALDH1A1 (0.37) ALDH1A1
SCHEMBL865131 0.78 RXFP1 (0.34) RXFP1PI4KAPI4K2BPI4K2API4KB

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-20120077814-A1 SULFONAMIDE, SULFAMATE, AND SULFAMOTHIOATE DERIVATIVES WANG ZHONG (US) 2012-03-29 US disclosed
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 RXFP1 4804/4885PI4KA 3835/4885PI4K2B 4393/4885

“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.