SCHEMBL4560338

SCHEMBL4560338

O=[N+]([O-])c1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 15/20 0.58
NR1I2 O75469 4/20 0.54
NR1H2 P55055 4/20 0.54
NR1H3 Q13133 4/20 0.54
RORA P35398 3/20 0.54
RORB Q92753 3/20 0.54
NR1H4 Q96RI1 3/20 0.54
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL29817604 1.00 RORC (0.58) RORCNR1I2NR1H2NR1H3RORA
SCHEMBL4561216 0.88 KMT2A (0.56) KMT2AMEN1CYP11B1CYP11B2LMNA
SCHEMBL29817686 0.86 RORC (0.78) RORCNR1I2NR1H2NR1H3RORA
SCHEMBL28846438 0.86 RORC (0.78) RORCNR1I2NR1H2NR1H3RORA
SCHEMBL29935384 0.85 RORC (0.47) RORCNR1I2NR1H2NR1H3RORA
SCHEMBL18359172 0.85 KMT2A (0.45) RORCNR1I2NR1H2NR1H3RORA
SCHEMBL5476139 0.83 LMNA (0.56) RORCNR1I2NR1H2NR1H3RORA
SCHEMBL4560780 0.81 RORC (0.61) RORCNR1I2NR1H2NR1H3RORA
SCHEMBL772020 0.81 RORC (0.61) RORCNR1I2NR1H2NR1H3RORA
SCHEMBL10282615 0.81 RORC (0.61) RORCNR1I2NR1H2NR1H3RORA

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107021923-B Tetrahydroquinoline related bicyclic compound and application thereof 中国科学院广州生物医药与健康研究院 2022-09-23 CN disclosed
CN-114790169-A Tetrahydroquinoline related bicyclic compound and application thereof 中国科学院广州生物医药与健康研究院 2022-07-26 CN disclosed
CN-107021923-A Tetrahydroquinoline related bicyclic compound and application thereof 中国科学院广州生物医药与健康研究院 2017-08-08 CN disclosed
WO-2017129069-A1 TETRAHYDROQUINOLINE-RELATED BICYCLIC COMPOUNDS AND USE THEREOF 中国科学院广州生物医药与健康研究院 2017-08-03 WO disclosed
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-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
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 1/4885NR1I2 9/4885NR1H2 8/4885

“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.