SCHEMBL21607412

SCHEMBL21607412

CC(C)(C)OC(=O)NC[C@]1(O)CC[C@H](S(C)(=O)=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.39
RORC P51449 14/20 0.39
EPHX1 P07099 1/20 0.38
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 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
SCHEMBL21605550 1.00 HCRTR2 (0.39) HCRTR2RORCEPHX1MEN1ALDH1A1
SCHEMBL21605621 0.88 HCRTR2 (0.38) HCRTR2RORCEPHX1MEN1ALDH1A1
SCHEMBL21605705 0.88 HCRTR2 (0.38) HCRTR2RORCEPHX1MEN1ALDH1A1
SCHEMBL23220061 0.86 HCRTR2 (0.41) HCRTR2EPHX1MEN1ALDH1A1TSHR
SCHEMBL21606419 0.86 HCRTR2 (0.41) HCRTR2EPHX1MEN1ALDH1A1TSHR
SCHEMBL21606423 0.84 SLC6A9 (0.39) HCRTR2RORCEPHX1MEN1ALDH1A1
SCHEMBL23219989 0.83 HCRTR2 (0.37) HCRTR2EPHX1MEN1ALDH1A1TSHR
SCHEMBL21606412 0.83 HCRTR2 (0.37) HCRTR2EPHX1MEN1ALDH1A1TSHR
SCHEMBL24463788 0.83 HCRTR2 (0.37) HCRTR2EPHX1MEN1ALDH1A1TSHR
SCHEMBL25568142 0.82 HCRTR2 (0.42) HCRTR2EPHX1MEN1ALDH1A1TSHR

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 10 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
US-11345666-B2 Phenyl and pyridinyl substituted imidazoles as modulators of RORγT JANSSEN PHARMACEUTICA NV (BE) 2022-05-31 US disclosed
US-11034658-B2 Pyridinyl pyrazoles as modulators of RORγT JANSSEN PHARMACEUTICA NV (BE) 2021-06-15 US disclosed
US-10975057-B2 6-aminopyridin-3-yl pyrazoles as modulators of RORgT JANSSEN PHARMACEUTICA NV (BE) 2021-04-13 US disclosed
US-10975037-B2 Phenyl substituted pyrazoles as modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2021-04-13 US disclosed
CN-112566901-A Phenyl-substituted pyrazoles as modulators of ROR γ t 詹森药业有限公司 2021-03-26 CN disclosed
CN-112334450-A Phenyl and pyridyl substituted imidazoles as modulators of ROR γ t 詹森药业有限公司 2021-02-05 CN disclosed
CN-112292373-A Pyridylpyrazoles as modulators of ROR γ t 詹森药业有限公司 2021-01-29 CN disclosed
CN-112292183-A 6-aminopyridin-3-yl-pyrazoles 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-11034658-B2 Pyridinyl pyrazoles as modulators of RORγT RORC, RORB, RORA HCRTR2 1183/4885RORC 1/4885EPHX1 1351/4885
US-10975037-B2 Phenyl substituted pyrazoles as modulators of RORγt RORC, RORB, RORA HCRTR2 981/4885RORC 1/4885EPHX1 1753/4885
US-11345666-B2 Phenyl and pyridinyl substituted imidazoles as modulators of RORγT RORC, RORB, RORA HCRTR2 1092/4885RORC 1/4885EPHX1 1149/4885
US-10975057-B2 6-aminopyridin-3-yl pyrazoles as modulators of RORgT RORC, RORA, RORB HCRTR2 1187/4885RORC 1/4885EPHX1 1504/4885

“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.