SCHEMBL19040385

SCHEMBL19040385

Cc1cnc(OCCO)c(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APP P05067 16/20 0.54
PTGS2 P35354 1/20 0.35
KCNJ5 P48544 1/20 0.35
KCNJ3 P48549 1/20 0.35
THRB P10828 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL2702034 0.82 CNR2 (0.39) APPTHRBKMT2AALDH1A1
SCHEMBL1591485 0.79 SLC13A5 (0.40) APPTHRBALDH1A1LMNASMN1; SMN2
SCHEMBL18600902 0.79 APP (0.54) APPKCNJ5KCNJ3LMNASMN1; SMN2
SCHEMBL2374306 0.79 APP (0.54) APP
SCHEMBL18371936 0.76 APP (0.35) APPPTGS2KCNJ5KCNJ3THRB
SCHEMBL1845695 0.75 SLC13A5 (0.37) LMNASMN1; SMN2
SCHEMBL18600965 0.75 APP (0.50) APPPTGS2ALDH1A1SMN1; SMN2
SCHEMBL14823453 0.74 PTGS2 (0.38) APPPTGS2THRBKMT2AALDH1A1
SCHEMBL12862764 0.73 ALDH1A1 (0.36) APPKCNJ5KCNJ3KMT2AALDH1A1
SCHEMBL7180070 0.73 KDM4E (0.48) THRBKMT2AALDH1A1LMNASMN1; SMN2

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 APP 2173/4885PTGS2 1029/4885KCNJ5 1365/4885
US-20180208587-A1 TETRAHYDROQUINOLINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORy AND THE TREATMENT OF DISEASE RORA, RORB, RORC APP 2173/4885PTGS2 1029/4885KCNJ5 1365/4885

“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.