SCHEMBL21605488

SCHEMBL21605488

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.38
EPHX1 P07099 1/20 0.38
GFER P55789 1/20 0.37
CA1 P00915 6/20 0.36
CA12 O43570 5/20 0.36
CA2 P00918 5/20 0.36
CA9 Q16790 4/20 0.36
KDM4A O75164 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
DRD2 P14416 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
NAMPT P43490 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
SCHEMBL21598021 0.83 ALDH1A1 (0.31) ALDH1A1
SCHEMBL23189851 0.83 ALDH1A1 (0.31) ALDH1A1
SCHEMBL21605548 0.74
SCHEMBL30602991 0.73 ALDH1A1 (0.43) EPHX1GFERCA1CA12CA2
SCHEMBL30602966 0.69 L3MBTL1 (0.39) GFERCA1CA12CA2CA9
SCHEMBL8056750 0.69 CHRM2 (0.39) GFERCA1CA12CA2CA9
SCHEMBL21605563 0.69 ACACB (0.51) ACACBEPHX1DRD2KMT2A
SCHEMBL23219326 0.69 ACACB (0.51) ACACBEPHX1DRD2KMT2A
SCHEMBL8245984 0.68 KDM4A (0.34) CA1CA12CA2CA9KDM4A
Hydrochloric Acid SCHEMBL23189724 0.68 ESR1 (0.31) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220281823-A1 PHENYL AND PYRIDINYL SUBSTITUTED IMIDAZOLES AS MODULATORS OF RORgT JANSSEN PHARMACEUTICA NV (BE) 2022-09-08 US disclosed
EP-3806958-B1 6-AMINOPYRIDIN-3-YL PYRAZOLES AS MODULATORS OF RORYT JANSSEN PHARMACEUTICA NV (BE) 2022-09-07 EP disclosed
EP-3807251-B1 PHENYL AND PYRIDINYL SUBSTITUTED IMIDAZOLES AS MODULATORS OF RORYT JANSSEN PHARMACEUTICA NV (BE) 2022-09-07 EP disclosed
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
US-11345666-B2 Phenyl and pyridinyl substituted imidazoles as modulators of RORγT JANSSEN PHARMACEUTICA NV (BE) 2022-05-31 US 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-10975037-B2 Phenyl substituted pyrazoles as modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2021-04-13 US disclosed
US-10975057-B2 6-aminopyridin-3-yl pyrazoles as modulators of RORgT 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
WO-2019244002-A1 PYRIDINYL PYRAZOLES AS MODULATORS OF RORYT JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
WO-2019244000-A1 PHENYL AND PYRIDINYL SUBSTITUTED IMIDAZOLES AS MODULATORS OF RORYT JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
WO-2019244001-A1 6-AMINOPYRIDIN-3-YL 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 (5 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 ACACB 3910/4885EPHX1 1351/4885GFER 4117/4885
US-20220281823-A1 PHENYL AND PYRIDINYL SUBSTITUTED IMIDAZOLES AS MODULATORS OF RORgT RORC, RORB, RORA ACACB 3485/4885EPHX1 834/4885GFER 4643/4885
US-10975037-B2 Phenyl substituted pyrazoles as modulators of RORγt RORC, RORB, RORA ACACB 4082/4885EPHX1 1753/4885GFER 3983/4885
US-11345666-B2 Phenyl and pyridinyl substituted imidazoles as modulators of RORγT RORC, RORB, RORA ACACB 3485/4885EPHX1 1149/4885GFER 4577/4885
US-10975057-B2 6-aminopyridin-3-yl pyrazoles as modulators of RORgT RORC, RORA, RORB ACACB 3098/4885EPHX1 1504/4885GFER 4245/4885

“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.