SCHEMBL19556830

SCHEMBL19556830

Cc1nc(NC(C)C)sc1S(=O)(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 9/20 0.74
RORA P35398 7/20 0.74
RORB Q92753 2/20 0.74
NR1H3 Q13133 2/20 0.47
NR1H2 P55055 4/20 0.45
NR1H4 Q96RI1 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.38
PI4KB Q9UBF8 1/20 0.35
PPARA Q07869 3/20 0.35
KIT P10721 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
ALOX5 P09917 1/20 0.34
TRPV1 Q8NER1 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
SCHEMBL19556832 0.89 RORC (0.80) RORCRORARORBNR1H3NR1H2
SCHEMBL2489597 0.85 RORA (1.00) RORCRORARORBNR1H3NR1H2
SCHEMBL18588564 0.75 RORA (0.82) RORCRORARORBSMN1; SMN2
SCHEMBL12334251 0.72 RORC (0.61) RORCRORARORBNR1H3NR1H2
SCHEMBL12334255 0.70 RORC (0.62) RORCRORARORBNR1H3NR1H2
SCHEMBL12334081 0.68 MCL1 (0.61) RORCRORARORBNR1H3NR1H2
SCHEMBL11412249 0.67 RORA (0.63) RORCRORARORBNR1H3NR1H2
SCHEMBL12334260 0.67 RORC (0.57) RORCRORARORBNR1H3NR1H2
SCHEMBL2944332 0.67 NR1H3 (0.66) RORCRORARORBNR1H3NR1H2
SCHEMBL3817824 0.66 RORA (0.68) RORCRORARORBNR1H3NR1H2

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-10189858-B2 Deuterium-enriched isoindolinonyl-piperidinonyl conjugates and oxoquinazolin-3(4H)-yl-piperidinonyl conjugates and methods of treating medical disorders using same DEUTERX, LLC (US) 2019-01-29 US disclosed
US-20180118758-A1 DEUTERIUM-ENRICHED ISOINDOLINONYL-PIPERIDINONYL CONJUGATES AND OXOQUINAZOLIN-3(4H)-YL-PIPERIDINONYL CONJUGATES AND METHODS OF TREATING MEDICAL DISORDERS USING SAME DEUTERX, LLC (US) 2018-05-03 US disclosed
US-9809603-B1 Deuterium-enriched isoindolinonyl-piperidinonyl conjugates and oxoquinazolin-3(4H)-yl-piperidinonyl conjugates and methods of treating medical disorders using same DEUTERX, LLC (US) 2017-11-07 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-10189858-B2 Deuterium-enriched isoindolinonyl-piperidinonyl conjugates and oxoquinazolin-3(4H)-yl-piperidinonyl conjugates and methods of treating medical disorders using same EGLN3, AQP3, AQP4 RORC 735/4885RORA 1472/4885RORB 1557/4885
US-20180118758-A1 DEUTERIUM-ENRICHED ISOINDOLINONYL-PIPERIDINONYL CONJUGATES AND OXOQUINAZOLIN-3(4H)-YL-PIPERIDINONYL CONJUGATES AND METHODS OF TREATING MEDICAL DISORDERS USING SAME EGLN3, AQP3, AQP4 RORC 735/4885RORA 1472/4885RORB 1557/4885

“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.