SCHEMBL21064306

SCHEMBL21064306

CNC(=O)OCc1cc2nc(Cl)ccc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.43
PPARA Q07869 8/20 0.43
PPARD Q03181 5/20 0.43
NOD1 Q9Y239 3/20 0.39
ALDH3A1 P30838 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
NOD2 Q9HC29 1/20 0.38
TOP2A P11388 3/20 0.38
TOP2B Q02880 3/20 0.38
MTNR1B P49286 1/20 0.37
CXCL8 P10145 1/20 0.37

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
SCHEMBL3531013 0.82 PPARG (0.43) PPARGPPARAPPARDNOD1ALDH3A1
SCHEMBL3531610 0.82 PPARG (0.43) PPARGPPARAPPARDNOD1ALDH3A1
SCHEMBL3532175 0.82 PPARG (0.43) PPARGPPARAPPARDNOD1ALDH3A1
SCHEMBL3528148 0.82 PPARG (0.48) PPARGPPARAPPARDALDH3A1KDM4E
SCHEMBL23436432 0.82 PPARG (0.43) PPARGPPARAPPARDNOD1ALDH3A1
SCHEMBL7213488 0.81 PPARG (0.48) PPARGPPARAPPARDNOD1ALDH3A1
SCHEMBL21064305 0.81 PPARG (0.47) PPARGPPARAPPARDNOD1ALDH3A1
SCHEMBL16235830 0.80 PPARG (0.46) PPARGPPARAPPARDNOD1ALDH3A1
SCHEMBL3535429 0.79 PPARG (0.68) PPARGPPARAPPARD
SCHEMBL3535449 0.79 PPARG (0.56) PPARGPPARAPPARDNOD1ALDH3A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11254671-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-02-22 US disclosed
US-20210163472-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-06-03 US disclosed
EP-3724187-A1 6-(MORPHOLIN-4-YL)-PYRIDIN-2-YL-1H-PYRROLO[3,2-B]PYRIDINE DERIVATIVES AS M-TOR INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2020-10-21 EP disclosed
WO-2019115640-A1 6-(MORPHOLIN-4-YL)-PYRIDIN-2-YL-1H-PYRROLO[3,2-B]PYRIDINE DERIVATIVES AS M-TOR INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-06-20 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 (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-20210163472-A1 CHEMICAL COMPOUNDS MTOR, RICTOR, RPTOR PPARG 2397/4885PPARA 2567/4885PPARD 2844/4885
US-11254671-B2 Chemical compounds MTOR, RICTOR, RPTOR PPARG 2397/4885PPARA 2567/4885PPARD 2844/4885

“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.