SCHEMBL19213002

SCHEMBL19213002

C=C(Oc1ccc(C(F)(F)F)cc1)C(=O)c1ccccc1Cl

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.64
CYP11B2 P19099 4/20 0.64
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
KIF11 P52732 1/20 0.43
TRPA1 O75762 1/20 0.42
RPS6KA3 P51812 1/20 0.41
KMT2A Q03164 1/20 0.41
RORB Q92753 3/20 0.41
RORC P51449 3/20 0.41
LIPE Q05469 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KCNJ5 P48544 1/20 0.39
KCNJ3 P48549 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL19212998 0.84 CYP11B1 (0.58) CYP11B1CYP11B2CES2CES1KMT2A
SCHEMBL26669558 0.78 CYP11B1 (1.00) CYP11B1CYP11B2
SCHEMBL17723899 0.78 CYP11B1 (1.00) CYP11B1CYP11B2
SCHEMBL19212925 0.78 CYP11B1 (0.49) CYP11B1CYP11B2CES2CES1KMT2A
SCHEMBL19212975 0.77 CYP11B1 (0.66) CYP11B1CYP11B2CES2KIF11KMT2A
SCHEMBL19212935 0.77 CYP11B1 (0.64) CYP11B1CYP11B2CES2CES1KIF11
SCHEMBL19213001 0.75 CYP11B1 (0.62) CYP11B1CYP11B2CES2CES1KMT2A
SCHEMBL19212951 0.75 CYP11B1 (0.66) CYP11B1CYP11B2CES2KMT2A
SCHEMBL19212972 0.73 CYP11B1 (0.62) CYP11B1CYP11B2CES2CES1KMT2A
SCHEMBL19212976 0.73 CYP11B1 (0.65) CYP11B1CYP11B2CES2CES1KMT2A

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 32/4885CES2 1748/4885

“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.