SCHEMBL19213007

SCHEMBL19213007

C=C(Oc1ccc(C#N)cc1F)C(=O)c1cccc(C(=O)OC)c1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.71
CYP11B2 P19099 2/20 0.71
MRGPRX4 Q96LA9 2/20 0.48
PLAU P00749 1/20 0.41
USP30 Q70CQ3 1/20 0.40
AR P10275 1/20 0.39
TYMS P04818 1/20 0.37
TDP2 O95551 1/20 0.37
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
P4HB P07237 1/20 0.35
ERN1 O75460 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
SCHEMBL17723998 0.83 CYP11B1 (1.00) CYP11B1CYP11B2MRGPRX4PLAUUSP30
SCHEMBL19212927 0.82 CYP11B1 (0.68) CYP11B1CYP11B2MRGPRX4PLAUTP53
SCHEMBL29228749 0.74 CYP11B1 (0.54) CYP11B1CYP11B2MRGPRX4PLAUUSP30
SCHEMBL19213005 0.74 CYP11B1 (0.67) CYP11B1CYP11B2MRGPRX4USP30AR
SCHEMBL30444713 0.73 MRGPRX4 (0.56) CYP11B1CYP11B2MRGPRX4PLAUTP53
SCHEMBL60040 0.73 MRGPRX4 (0.56) CYP11B1CYP11B2MRGPRX4PLAUTP53
SCHEMBL26814282 0.72 CYP11B1 (0.80) CYP11B1CYP11B2MRGPRX4MEN1LMNA
SCHEMBL6578619 0.71 CYP11B1 (0.55) CYP11B1CYP11B2MRGPRX4PLAUTP53
SCHEMBL6831985 0.71 CYP11B1 (0.52) CYP11B1CYP11B2MRGPRX4PLAU
SCHEMBL17714132 0.71 CYP11B1 (0.52) CYP11B1CYP11B2MRGPRX4PLAUAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 32/4885MRGPRX4 274/4885

“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.