SCHEMBL19040397

SCHEMBL19040397

CC(=O)O[C@H](C)COc1ncc(C)cc1S(=O)(=O)Cl

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.33
SCN9A Q15858 6/20 0.32
SCN5A Q14524 4/20 0.32
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL18600696 0.83 PTGS2 (0.39) PTGS2SCN9A
SCHEMBL19040387 0.78 HTT (0.35) PTGS2CYP3A4
SCHEMBL19040355 0.75 TRPV4 (0.40) PTGS2
SCHEMBL22532403 0.72 TRPV4 (0.39) PTGS2SCN9A
SCHEMBL30719557 0.72 TRPV4 (0.39) PTGS2SCN9A
SCHEMBL19040395 0.70 ADORA3 (0.37)
SCHEMBL29837679 0.69 SCN9A (0.41) SCN9ASCN5ACYP3A4CYP2C9
SCHEMBL26693685 0.69 SCN9A (0.41) SCN9ASCN5ACYP3A4CYP2C9
SCHEMBL18600866 0.65 L3MBTL1 (0.38) CYP3A4CYP2C9
SCHEMBL25226442 0.65 APLNR (0.35) PTGS2

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-20180208587-A1 TETRAHYDROQUINOLINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORy AND THE TREATMENT OF DISEASE LYCERA CORPORATION 2018-07-26 US disclosed
US-9896441-B2 Tetrahydroquinoline sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease LYCERA CORPORATION (US) 2018-02-20 US disclosed
US-20170183331-A1 TETRAHYDROQUINOLINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORy AND THE TREATMENT OF DISEASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-06-29 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-20170183331-A1 TETRAHYDROQUINOLINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORy AND THE TREATMENT OF DISEASE RORA, RORB, RORC PTGS2 1029/4885SCN9A 1753/4885SCN5A 486/4885
US-20180208587-A1 TETRAHYDROQUINOLINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORy AND THE TREATMENT OF DISEASE RORA, RORB, RORC PTGS2 1029/4885SCN9A 1753/4885SCN5A 486/4885

“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.