SCHEMBL19212940

SCHEMBL19212940

C=C(Oc1ccc(Cl)cc1)C(=O)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.64
CYP11B2 P19099 5/20 0.64
MAOB P27338 1/20 0.49
PTGS2 P35354 2/20 0.48
AKR1C3 P42330 3/20 0.47
AKR1C2 P52895 1/20 0.47
AKR1C1 Q04828 1/20 0.47
HPGD P15428 1/20 0.44
FAAH O00519 1/20 0.42
MGLL Q99685 1/20 0.42
ELANE P08246 1/20 0.42

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
SCHEMBL19212992 0.86 CES2 (0.56) CYP11B1CYP11B2MAOBPTGS2HPGD
SCHEMBL19212944 0.83 HPGD (0.64) CYP11B1CYP11B2MAOBPTGS2HPGD
SCHEMBL19212996 0.82 CYP11B1 (0.67) CYP11B1CYP11B2MAOBPTGS2
SCHEMBL19212971 0.82 CYP11B1 (0.68) CYP11B1CYP11B2MAOBPTGS2AKR1C3
SCHEMBL17723869 0.79 CYP11B1 (1.00) CYP11B1CYP11B2
SCHEMBL8669129 0.79 CES2 (0.58) CYP11B1CYP11B2HPGDELANE
SCHEMBL26813754 0.78 CYP11B1 (0.48) CYP11B1CYP11B2PTGS2AKR1C3AKR1C2
SCHEMBL19212935 0.75 CYP11B1 (0.64) CYP11B1CYP11B2HPGDMGLLELANE
SCHEMBL14367111 0.75 CES2 (0.55) CYP11B1CYP11B2PTGS2AKR1C3
SCHEMBL7814053 0.74 MAOB (0.63) MAOBPTGS2AKR1C3AKR1C2AKR1C1

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 32/4885MAOB 450/4885

“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.