SCHEMBL20026088

SCHEMBL20026088

CO[C@H](c1ccc(-c2ccc(CO)nc2)cc1)[C@H](N)CF

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 2/20 0.39
▸ PI4KA P42356 2/20 0.39
▸ PI4KB Q9UBF8 2/20 0.39
▸ TLR9 Q9NR96 1/20 0.35
▸ TLR8 Q9NR97 1/20 0.35
▸ TLR7 Q9NYK1 1/20 0.35
▸ S1PR1 P21453 1/20 0.33
▸ KCNH2 Q12809 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ F9 P00740 1/20 0.32
▸ KDM5B Q9UGL1 1/20 0.31
▸ GRM2 Q14416 1/20 0.31
▸ MKNK1 Q9BUB5 1/20 0.30
▸ MKNK2 Q9HBH9 1/20 0.30

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
SCHEMBL19062432 1.00 PIK3CA (0.39) PIK3CAPI4KAPI4KBTLR9TLR8
SCHEMBL20026168 0.84 MKNK1 (0.31) MKNK1MKNK2
SCHEMBL19063237 0.83 PIK3CD (0.35) PIK3CAPI4KAPI4KBPIK3CDPIK3CB
SCHEMBL20026213 0.83 PIK3CD (0.35) PIK3CAPI4KAPI4KBPIK3CDPIK3CB
SCHEMBL19062436 0.83 PIK3CD (0.35) PIK3CAPI4KAPI4KBPIK3CDPIK3CB
SCHEMBL20026327 0.82 MKNK1 (0.46) PIK3CAPI4KAPI4KBKCNH2PIK3CD
SCHEMBL14023915 0.81 PIK3CA (0.39) PIK3CAPI4KAPI4KBTLR9TLR8
SCHEMBL20026159 0.81 MAPT (0.36) —
SCHEMBL20026348 0.81 ERN1 (0.33) MKNK1MKNK2
SCHEMBL13527559 0.79 PIK3CA (0.33) PIK3CAPI4KAPI4KBTLR9TLR8

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-20180094016-A1 Triazole Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-04-05 — — 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-20180094016-A1 Triazole Compounds And Methods Of Making And Using The Same IL33, PROKR1, VIP PIK3CA 3581/4885PI4KA 2535/4885PI4KB 2180/4885

“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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