SCHEMBL19213005

SCHEMBL19213005

C=C(Oc1ccc(C#N)cc1F)C(=O)c1ccccc1Cl

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.67
CYP11B2 P19099 2/20 0.47
CYP1A2 P05177 1/20 0.46
USP30 Q70CQ3 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
TRPM4 Q8TD43 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
AR P10275 1/20 0.37
CTSA P10619 1/20 0.37
CCR2 P41597 1/20 0.36
GPR6 P46095 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36

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
SCHEMBL19213003 0.84 CYP11B1 (0.63) CYP11B1CYP11B2CYP1A2USP30CES2
SCHEMBL17723948 0.80 CYP11B1 (1.00) CYP11B1CYP11B2
SCHEMBL19212925 0.80 CYP11B1 (0.49) CYP11B1CYP11B2CES2CES1SMN1; SMN2
SCHEMBL19213007 0.74 CYP11B1 (0.71) CYP11B1CYP11B2USP30CES2CES1
SCHEMBL19212943 0.73 CYP11B1 (0.65) CYP11B1CYP11B2
SCHEMBL29228749 0.71 CYP11B1 (0.54) CYP11B1CYP11B2USP30PTGDR2SMN1; SMN2
SCHEMBL19212928 0.71 CYP11B1 (0.65) CYP11B1CYP11B2SMN1; SMN2
SCHEMBL28209125 0.70 USP30 (0.53) CYP11B1CYP11B2USP30PTGDR2SMN1; SMN2
SCHEMBL29826803 0.69 CCR2 (0.56) CYP11B1USP30PTGDR2TRPM4AR
SCHEMBL16987880 0.68 USP30 (0.49) CYP11B1CYP11B2USP30PTGDR2AR

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 32/4885CYP1A2 9/4885

“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.