SCHEMBL5023239

SCHEMBL5023239

COc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)CCc4ccccc4)ccc32)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.64
POLB P06746 1/20 0.58
KMT2A Q03164 6/20 0.57
MEN1 O00255 5/20 0.57
TP53 P04637 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 2/20 0.54
GAA P10253 1/20 0.54
NPC1 O15118 1/20 0.54
LMNA P02545 1/20 0.54
TSHR P16473 1/20 0.54
RAB9A P51151 1/20 0.53
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51

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
SCHEMBL5023207 0.81 RORC (0.72) KMT2AMEN1SMN1; SMN2ALDH1A1GAA
SCHEMBL5023456 0.80 MAPT (0.73) MAPTPOLBKMT2AMEN1TP53
SCHEMBL5021835 0.76 MAPT (0.65) MAPTPOLBTP53
SCHEMBL664118 0.76 KMT2A (0.74) MAPTPOLBKMT2AMEN1TP53
SCHEMBL665117 0.75 MAPT (0.75) MAPTKMT2AMEN1TP53SMN1; SMN2
SCHEMBL1495155 0.75 MAPT (0.89) MAPTPOLBKMT2AMEN1TP53
SCHEMBL4562216 0.74 RORC (0.57) MAPTPOLBKMT2AALDH1A1NPC1
SCHEMBL3676320 0.74 RAB9A (0.73) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL18581825 0.73 MAPT (0.69) MAPTPOLBKMT2AMEN1TP53
SCHEMBL24404869 0.73 GAA (0.50) MAPTPOLBKMT2AMEN1TP53

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 6 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-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
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 3512/4885POLB 4368/4885KMT2A 1374/4885

“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.