SCHEMBL21598045

SCHEMBL21598045

N#CC1(S(=O)(=O)C2(C#N)CCCCC2)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL14734190 0.80 ALDH1A1 (0.37) ALDH1A1
SCHEMBL14734060 0.77 ALDH1A1 (0.33) ALDH1A1
SCHEMBL18097580 0.73 ALDH1A1 (0.31) ALDH1A1
SCHEMBL14734181 0.72
SCHEMBL18097787 0.70
SCHEMBL14734082 0.65
SCHEMBL28773535 0.65
SCHEMBL28255287 0.63
SCHEMBL5125852 0.63 ALDH1A1 (0.52) ALDH1A1
SCHEMBL6715638 0.63

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 15 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
EP-3807261-A1 PYRIDINYL PYRAZOLES AS MODULATORS OF RORYT Janssen Pharmaceutica NV (BE) 2021-04-21 EP disclosed
EP-3806958-A1 6-AMINOPYRIDIN-3-YL PYRAZOLES AS MODULATORS OF RORYT Janssen Pharmaceutica NV (BE) 2021-04-21 EP disclosed
EP-3807251-A1 PHENYL AND PYRIDINYL SUBSTITUTED IMIDAZOLES AS MODULATORS OF RORYT Janssen Pharmaceutica NV (BE) 2021-04-21 EP 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
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-2019244001-A1 6-AMINOPYRIDIN-3-YL 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-2019244002-A1 PYRIDINYL 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 (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 ALDH1A1 694/4885
US-10975037-B2 Phenyl substituted pyrazoles as modulators of RORγt RORC, RORB, RORA ALDH1A1 801/4885
US-11345666-B2 Phenyl and pyridinyl substituted imidazoles as modulators of RORγT RORC, RORB, RORA ALDH1A1 421/4885
US-10975057-B2 6-aminopyridin-3-yl pyrazoles as modulators of RORgT RORC, RORA, RORB ALDH1A1 220/4885

“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.