SCHEMBL21598024

SCHEMBL21598024

COC(=O)C1(C#N)CCC(S(C)(=O)=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 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
SCHEMBL23220025 1.00 NPSR1 (0.36) NPSR1
SCHEMBL21607430 0.83 ALDH1A1 (0.33)
SCHEMBL23219992 0.83 ALDH1A1 (0.33)
SCHEMBL23220056 0.83 ALDH1A1 (0.33)
SCHEMBL21598371 0.81
SCHEMBL23220024 0.80 DPP4 (0.36) NPSR1
SCHEMBL3552682 0.78
SCHEMBL100849 0.75 NPSR1 (0.45) NPSR1
SCHEMBL5551911 0.75 NPSR1 (0.41) NPSR1
SCHEMBL14859472 0.73 NPSR1 (0.44) NPSR1

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 12 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
EP-3807251-A1 PHENYL AND PYRIDINYL SUBSTITUTED IMIDAZOLES AS MODULATORS OF RORYT Janssen Pharmaceutica NV (BE) 2021-04-21 EP 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
EP-3790865-A1 PHENYL SUBSTITUTED PYRAZOLES AS MODULATORS OF RORYT Janssen Pharmaceutica NV (BE) 2021-03-17 EP 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
WO-2019244000-A1 PHENYL AND PYRIDINYL SUBSTITUTED IMIDAZOLES 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-2019243999-A1 PHENYL SUBSTITUTED PYRAZOLES AS MODULATORS OF RORYT JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO 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 (3 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 NPSR1 969/4885
US-10975037-B2 Phenyl substituted pyrazoles as modulators of RORγt RORC, RORB, RORA NPSR1 345/4885
US-11345666-B2 Phenyl and pyridinyl substituted imidazoles as modulators of RORγT RORC, RORB, RORA NPSR1 511/4885

“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.