SCHEMBL19040387

SCHEMBL19040387

CC(=O)OCCOc1ncc(C)cc1S(=O)(=O)Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.35
PTGS2 P35354 1/20 0.34
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC13A5 Q86YT5 3/20 0.33
SLC13A2 Q13183 1/20 0.33
SLC13A3 Q8WWT9 1/20 0.33
APP P05067 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32

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
SCHEMBL18600866 0.86 L3MBTL1 (0.38) HTTALDH1A1L3MBTL1CA12CA1
SCHEMBL19040355 0.78 TRPV4 (0.40) PTGS2L3MBTL1SLC13A5CA12CA1
SCHEMBL22532403 0.75 TRPV4 (0.39) PTGS2ALDH1A1SLC13A5SLC13A2SLC13A3
SCHEMBL30719557 0.75 TRPV4 (0.39) PTGS2ALDH1A1SLC13A5SLC13A2SLC13A3
SCHEMBL9088675 0.68 PDE3B (0.43) HTTALDH1A1L3MBTL1APPCA12
SCHEMBL19040383 0.68 ALDH1A1 (0.39) HTTPTGS2ALDH1A1L3MBTL1CA12
SCHEMBL25226442 0.67 APLNR (0.35) PTGS2ALDH1A1KMT2ACYP1A2KDM4E
SCHEMBL11929549 0.66 ALDH1A1 (0.45) HTTALDH1A1L3MBTL1PDE3BPDE3A
SCHEMBL27608494 0.66 HTT (0.44) HTTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL21713598 0.66 ALDH1A1 (0.38) ALDH1A1KMT2AKDM4EMAPT

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 HTT 1495/4885PTGS2 1029/4885ALDH1A1 602/4885
US-20180208587-A1 TETRAHYDROQUINOLINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORy AND THE TREATMENT OF DISEASE RORA, RORB, RORC HTT 1495/4885PTGS2 1029/4885ALDH1A1 602/4885

“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.