SCHEMBL17723969

SCHEMBL17723969

CN(C)/C=C(\Oc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 16/20 1.00
CYP11B2 P19099 14/20 1.00
AKR1C3 P42330 1/20 0.50
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
TRPV4 Q9HBA0 1/20 0.43

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
SCHEMBL26669564 1.00 CYP11B1 (1.00) CYP11B1CYP11B2AKR1C3CES2CES1
SCHEMBL17723869 0.85 CYP11B1 (1.00) CYP11B1CYP11B2
SCHEMBL19212932 0.84 CYP11B1 (1.00) CYP11B1CYP11B2
SCHEMBL17714182 0.84 CYP11B1 (1.00) CYP11B1CYP11B2
SCHEMBL17714184 0.84 CYP11B1 (1.00) CYP11B1CYP11B2
SCHEMBL19212979 0.82 CYP11B1 (1.00) CYP11B1CYP11B2
SCHEMBL26813824 0.81 CYP11B1 (0.73) CYP11B1CYP11B2CES2CES1
SCHEMBL19212971 0.81 CYP11B1 (0.68) CYP11B1CYP11B2AKR1C3CES2CES1
SCHEMBL7802254 0.74 AKR1C3 (0.62) CYP11B1CYP11B2AKR1C3CES2CES1
SCHEMBL20508407 0.73 CYP11B1 (0.60) CYP11B1CYP11B2

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 6 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-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
US-20170226097-A1 PYRIDINYLOXY- AND PHENYLOXY-PYRAZOLYL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2017-08-10 US disclosed
WO-2016066664-A1 NEW PYRIDINYLOXY- AND PHENYLOXY-PYRAZOLYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2016-05-06 WO 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 32/4885AKR1C3 230/4885

“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.