SCHEMBL19212975

SCHEMBL19212975

C=C(Oc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(Cl)cc1F

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.66
CYP11B2 P19099 6/20 0.66
TLR8 Q9NR97 1/20 0.42
TMPRSS4 Q9NRS4 4/20 0.41
KIF11 P52732 1/20 0.40
GRIK1 P39086 1/20 0.40
P2RX1 P51575 2/20 0.40
P2RX4 Q99571 2/20 0.40
P2RX7 Q99572 2/20 0.40
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
CES2 O00748 1/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 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
SCHEMBL19212951 0.92 CYP11B1 (0.66) CYP11B1CYP11B2TLR8TMPRSS4PPARG
SCHEMBL19212936 0.89 CYP11B1 (0.60) CYP11B1CYP11B2PPARGPPARACES2
SCHEMBL19213000 0.81 CYP11B1 (0.62) CYP11B1CYP11B2CES2LMNAMAOA
SCHEMBL17723957 0.80 CYP11B1 (1.00) CYP11B1CYP11B2
SCHEMBL26669565 0.80 CYP11B1 (1.00) CYP11B1CYP11B2
SCHEMBL19212935 0.80 CYP11B1 (0.64) CYP11B1CYP11B2KIF11PPARGPPARA
SCHEMBL26813738 0.79 CYP11B1 (0.52) CYP11B1CYP11B2CES2LMNAMAPT
SCHEMBL19213002 0.77 CYP11B1 (0.64) CYP11B1CYP11B2KIF11CES2KMT2A
SCHEMBL19212999 0.75 CYP11B1 (0.60) CYP11B1CYP11B2PPARGPPARACES2
SCHEMBL17723862 0.72 CYP11B1 (1.00) 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 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 32/4885TLR8 4713/4885

“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.