SCHEMBL29620653

SCHEMBL29620653

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RORC P51449 10/20 0.42
CTSK P43235 4/20 0.37
CTSS P25774 2/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
HCRTR2 O43614 1/20 0.36
CTSL P07711 1/20 0.36
EPHX1 P07099 1/20 0.35

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
SCHEMBL23220045 1.00 RORC (0.42) RORCCTSKCTSSMEN1ALDH1A1
SCHEMBL25317380 0.84 CTSL (0.43) CTSKCTSSMEN1ALDH1A1TSHR
SCHEMBL23220061 0.82 HCRTR2 (0.41) CTSKCTSSMEN1ALDH1A1TSHR
SCHEMBL21606419 0.82 HCRTR2 (0.41) CTSKCTSSMEN1ALDH1A1TSHR
SCHEMBL21607412 0.82 HCRTR2 (0.39) RORCMEN1ALDH1A1TSHRKMT2A
SCHEMBL21605550 0.82 HCRTR2 (0.39) RORCMEN1ALDH1A1TSHRKMT2A
SCHEMBL23189901 0.81 RORC (0.41) RORC
SCHEMBL21606423 0.80 SLC6A9 (0.39) RORCMEN1ALDH1A1TSHRKMT2A
SCHEMBL23219989 0.79 HCRTR2 (0.37) CTSKCTSSMEN1ALDH1A1TSHR
SCHEMBL24463788 0.79 HCRTR2 (0.37) CTSKCTSSMEN1ALDH1A1TSHR

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
US-20220281823-A1 PHENYL AND PYRIDINYL SUBSTITUTED IMIDAZOLES AS MODULATORS OF RORgT JANSSEN PHARMACEUTICA NV (BE) 2022-09-08 US disclosed
EP-3807251-B1 PHENYL AND PYRIDINYL SUBSTITUTED IMIDAZOLES AS MODULATORS OF RORYT JANSSEN PHARMACEUTICA NV (BE) 2022-09-07 EP disclosed
US-11345666-B2 Phenyl and pyridinyl substituted imidazoles as modulators of RORγT JANSSEN PHARMACEUTICA NV (BE) 2022-05-31 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 (2 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-20220281823-A1 PHENYL AND PYRIDINYL SUBSTITUTED IMIDAZOLES AS MODULATORS OF RORgT RORC, RORB, RORA RORC 1/4885CTSK 4383/4885CTSS 4225/4885
US-11345666-B2 Phenyl and pyridinyl substituted imidazoles as modulators of RORγT RORC, RORB, RORA RORC 1/4885CTSK 4089/4885CTSS 3788/4885

“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.