SCHEMBL4561014

SCHEMBL4561014

O=C(NCc1ccc2c(c1)N(S(=O)(=O)c1ccc(O)cc1)CCC2)c1ccc(F)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RORC P51449 15/20 0.65
MAPT P10636 2/20 0.62
MEN1 O00255 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
KMT2A Q03164 1/20 0.62
NR1I2 O75469 3/20 0.54
RORA P35398 3/20 0.54
NR1H2 P55055 3/20 0.54
NR1H3 Q13133 3/20 0.54
RORB Q92753 3/20 0.54
NR1H4 Q96RI1 3/20 0.54
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
TSHR P16473 1/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 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
SCHEMBL15611426 0.89 MAPT (0.61) RORCMAPTMEN1CYP3A4CYP2D6
SCHEMBL15611049 0.84 RORC (0.55) RORCMAPTMEN1CYP3A4CYP2D6
SCHEMBL4560658 0.83 MAPT (0.58) RORCMAPTMEN1CYP3A4CYP2D6
SCHEMBL4562290 0.81 RORC (0.74) RORCMAPTMEN1CYP3A4CYP2D6
SCHEMBL4012337 0.79 MAPT (0.74) MAPTMEN1CYP3A4CYP2D6CYP2C9
SCHEMBL4561078 0.79 LMNA (0.48) RORCMAPTMEN1CYP3A4CYP2D6
SCHEMBL5023195 0.75 RORC (0.90) RORCMAPTNR1I2RORANR1H2
SCHEMBL28157227 0.75 RORC (0.67) RORCMAPTMEN1KMT2ANR1I2
SCHEMBL29817545 0.75 RORC (0.67) RORCMAPTMEN1KMT2ANR1I2
SCHEMBL5023190 0.75 RORC (0.73) RORCMAPTMEN1KMT2ANR1I2

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 5 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
EP-2638014-A2 TETRAHYDROQUINOLINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF ROR ACTIVITY AND THE TREATMENT OF DISEASE Lycera Corporation (US) 2013-09-18 EP 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 RORC 1/4885MAPT 3512/4885MEN1 3732/4885

“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.