SCHEMBL20026348

SCHEMBL20026348

CO[C@H](c1ccc(-c2ccc(CO)cc2)cc1)[C@H](N)CF

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 1/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ ROCK1 Q13464 1/20 0.32
▸ MYLK4 Q86YV6 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ MKNK1 Q9BUB5 1/20 0.32
▸ MKNK2 Q9HBH9 1/20 0.32
▸ FYN P06241 1/20 0.32
▸ NOS3 P29474 1/20 0.30
▸ NOS1 P29475 1/20 0.30
▸ ADAMTS4 O75173 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
SCHEMBL19062812 0.95 CYP1A2 (0.34) CYP1A2CYP2D6CYP2C19NOS3NOS1
SCHEMBL15628463 0.95 CYP1A2 (0.34) CYP1A2CYP2D6CYP2C19NOS3NOS1
SCHEMBL20026332 0.86 HRH3 (0.44) CYP1A2CYP2D6CYP2C19
SCHEMBL20026088 0.81 PIK3CA (0.39) MKNK1MKNK2
SCHEMBL19062432 0.81 PIK3CA (0.39) MKNK1MKNK2
SCHEMBL15628455 0.81 LOXL2 (0.36) CYP1A2CYP2D6CYP2C19NOS3NOS1
SCHEMBL19063250 0.81 TSHR (0.39) CYP1A2CYP2D6CYP2C19
SCHEMBL20026377 0.80 CYP1A2 (0.34) CYP1A2CYP2D6CYP2C19
SCHEMBL20026328 0.79 CYP1A2 (0.36) CYP1A2CYP2D6CYP2C19
SCHEMBL17490437 0.79 ATM (0.35) —

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 ERN1 2716/4885KIF11 2737/4885ROCK1 1305/4885

“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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