SCHEMBL19212943

SCHEMBL19212943

C=C(Oc1ccc(C#N)cc1)C(=O)c1cccc(Cl)c1F

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.65
CYP11B2 P19099 5/20 0.47
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
KAT6A Q92794 2/20 0.38
F2 P00734 1/20 0.38
POLB P06746 2/20 0.37
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.35
THRB P10828 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
SCHEMBL19212980 0.87 CYP11B1 (0.50) CYP11B1CYP11B2KAT6AF2POLB
SCHEMBL19212925 0.87 CYP11B1 (0.49) CYP11B1CYP11B2TAS1R3TAS1R1TAS1R2
SCHEMBL19212972 0.85 CYP11B1 (0.62) CYP11B1CYP11B2KAT6A
SCHEMBL19212928 0.85 CYP11B1 (0.65) CYP11B1CYP11B2KAT6AF2POLB
SCHEMBL17723972 0.79 CYP11B1 (1.00) CYP11B1CYP11B2
SCHEMBL19212911 0.75 CES2 (0.53) CYP11B1CYP11B2ALDH1A1
SCHEMBL19212982 0.74 CYP11B1 (0.65) CYP11B1CYP11B2F2ALDH1A1THRB
SCHEMBL19213005 0.73 CYP11B1 (0.67) CYP11B1CYP11B2
SCHEMBL19213004 0.72 CYP11B1 (0.51) CYP11B1CYP11B2POLBMAPTALDH1A1
SCHEMBL19212981 0.72 CYP11B1 (0.67) CYP11B1CYP11B2POLBMAPTALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3212636-B1 NEW PYRIDINYLOXY- AND PHENYLOXY-PYRAZOLYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2023-11-29 EP disclosed
US-9790217-B2 Pyridinyloxy- and phenyloxy-pyrazolyl compounds HOFFMANN-LA ROCHE INC. (US) 2017-10-17 US disclosed
US-20170226097-A1 PYRIDINYLOXY- AND PHENYLOXY-PYRAZOLYL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2017-08-10 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-20170226097-A1 PYRIDINYLOXY- AND PHENYLOXY-PYRAZOLYL COMPOUNDS PDXK, PNPO, PAH CYP11B1 84/4885CYP11B2 32/4885TAS1R3 2900/4885

“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.