SCHEMBL19212980

SCHEMBL19212980

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.50
CES2 O00748 1/20 0.49
BCHE P06276 1/20 0.49
CES1 P23141 1/20 0.49
F2 P00734 1/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 1/20 0.38
CYP11B2 P19099 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 2/20 0.37
MAPT P10636 3/20 0.37
KAT6A Q92794 2/20 0.37
THRB P10828 1/20 0.36
MGLL Q99685 1/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 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
SCHEMBL19212928 0.87 CYP11B1 (0.65) CYP11B1F2POLBALDH1A1SMN1; SMN2
SCHEMBL19212943 0.87 CYP11B1 (0.65) CYP11B1F2POLBALDH1A1CYP11B2
SCHEMBL19212911 0.82 CES2 (0.53) CYP11B1CES2BCHECES1ALDH1A1
SCHEMBL19212925 0.78 CYP11B1 (0.49) CYP11B1CES2CES1F2POLB
SCHEMBL17723950 0.78 CYP11B1 (0.80) CYP11B1CYP11B2
SCHEMBL16604316 0.76 ALDH1A1 (0.61) CYP11B1F2POLBALDH1A1SMN1; SMN2
SCHEMBL19212981 0.73 CYP11B1 (0.67) CYP11B1POLBALDH1A1SMN1; SMN2CYP11B2
SCHEMBL19213009 0.72 MAOB (0.55) CYP11B1F2HTTCYP11B2NPC1
SCHEMBL19212972 0.71 CYP11B1 (0.62) CYP11B1CES2BCHECES1HTT
SCHEMBL19212929 0.71 CYP11B1 (0.62) CYP11B1CES2BCHECES1ALDH1A1

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 84/4885CES2 1748/4885BCHE 4179/4885

“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.