SCHEMBL21605705

SCHEMBL21605705

CC(C)(C)OC(=O)NCC1(O)CCC(S(N)(=O)=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.38
EPHX1 P07099 1/20 0.37
RORC P51449 3/20 0.37
CA12 O43570 7/20 0.36
CA1 P00915 7/20 0.36
CA2 P00918 7/20 0.36
CA9 Q16790 7/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
DRD2 P14416 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL21605621 1.00 HCRTR2 (0.38) HCRTR2EPHX1RORCCA12CA1
SCHEMBL21607412 0.88 HCRTR2 (0.39) HCRTR2EPHX1RORCMEN1ALDH1A1
SCHEMBL21605550 0.88 HCRTR2 (0.39) HCRTR2EPHX1RORCMEN1ALDH1A1
SCHEMBL25568145 0.83 HCRTR2 (0.41) HCRTR2EPHX1CA12CA1CA2
SCHEMBL25568142 0.81 HCRTR2 (0.42) HCRTR2EPHX1CA12CA1CA2
SCHEMBL25568141 0.81 HCRTR2 (0.42) HCRTR2EPHX1CA12CA1CA2
SCHEMBL15497076 0.81 HCRTR2 (0.44) HCRTR2EPHX1CA12CA1CA2
SCHEMBL23189782 0.78 RORC (0.35) RORC
SCHEMBL23189781 0.78 RORC (0.35) RORC
SCHEMBL28519612 0.78 HCRTR2 (0.43) HCRTR2EPHX1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3807261-B1 PYRIDINYL PYRAZOLES AS MODULATORS OF RORYT JANSSEN PHARMACEUTICA NV (BE) 2022-07-13 EP disclosed
EP-3807261-B1 PYRIDINYL PYRAZOLES AS MODULATORS OF RORYT JANSSEN PHARMACEUTICA NV (BE) 2022-07-13 EP disclosed
CN-112292373-A Pyridylpyrazoles as modulators of ROR γ t 詹森药业有限公司 2021-01-29 CN disclosed
WO-2019243999-A1 PHENYL SUBSTITUTED PYRAZOLES AS MODULATORS OF RORYT JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
WO-2019244002-A1 PYRIDINYL PYRAZOLES AS MODULATORS OF RORYT JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed