SCHEMBL5021835

SCHEMBL5021835

COc1ccc(CC(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(C)cc2)CCC3)cc1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.65
RORC P51449 9/20 0.60
POLB P06746 1/20 0.59
TP53 P04637 1/20 0.55
CPT2 P23786 1/20 0.53
CPT1A P50416 1/20 0.53
CPT1B Q92523 1/20 0.53
NLRP3 Q96P20 1/20 0.53

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
SCHEMBL4562216 0.91 RORC (0.57) MAPTRORCPOLBCPT1ACPT1B
SCHEMBL4540941 0.88 RORC (0.53) MAPTRORCPOLBTP53
SCHEMBL5023190 0.84 RORC (0.73) MAPTRORC
SCHEMBL4561022 0.80 RORC (0.51) MAPTRORCCPT1ACPT1B
SCHEMBL15610946 0.80 RORC (0.59) MAPTRORCCPT1ACPT1B
SCHEMBL31456270 0.79 MEN1 (0.62) MAPTRORCPOLBTP53NLRP3
SCHEMBL5021838 0.79 MAPT (0.70) MAPTRORCPOLBTP53
SCHEMBL1495155 0.77 MAPT (0.89) MAPTPOLBTP53
SCHEMBL5021844 0.77 RORC (0.68) MAPTRORC
SCHEMBL5023239 0.76 MAPT (0.64) MAPTPOLBTP53

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
EP-2638014-B1 N-SULFONYLATED TETRAHYDROQUINOLINES AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF ROR-GAMMA ACTIVITY AND THE TREATMENT OF DISEASES LYCERA CORP (US) 2017-01-04 EP disclosed
US-9512111-B2 N-sulfonylated tetrahydroquinolines and related bicyclic compounds for inhibition of RORγ activity and the treatment of disease LYCERA CORPORATION (US) 2016-12-06 US disclosed
US-20140088094-A1 N-SULFONYLATED TETRAHYDROQUINOLINES AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME CORP. (US) 2014-03-27 US disclosed
WO-2012064744-A2 TETRAHYDROQUINOLINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORϒ ACTIVITY AND THE TREATMENT OF DISEASE LYCERA CORPORATION (US) 2012-05-18 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 (1 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-20140088094-A1 N-SULFONYLATED TETRAHYDROQUINOLINES AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORC, RORB, RORA MAPT 3512/4885RORC 1/4885POLB 4368/4885

“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.