SCHEMBL15628993

SCHEMBL15628993

CC(O)C(CN)C(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 17/20 0.65
NR1I2 O75469 4/20 0.61
RORA P35398 4/20 0.61
NR1H2 P55055 4/20 0.61
NR1H3 Q13133 4/20 0.61
RORB Q92753 4/20 0.61
NR1H4 Q96RI1 4/20 0.61
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL18359167 0.90 RORC (0.62) RORCNR1I2RORANR1H2NR1H3
SCHEMBL15629002 0.86 RORC (0.65) RORCNR1I2RORANR1H2NR1H3
SCHEMBL15628949 0.85 RORC (0.66) RORCNR1I2RORANR1H2NR1H3
SCHEMBL18359195 0.83 RORC (0.61) RORCNR1I2RORANR1H2NR1H3
SCHEMBL15629063 0.82 RORC (0.62) RORCNR1I2RORANR1H2NR1H3
SCHEMBL5023196 0.82 RORC (0.70) RORCNR1I2RORANR1H2NR1H3
SCHEMBL18359158 0.82 RORC (0.65) RORCNR1I2RORANR1H2NR1H3
SCHEMBL18359194 0.82 RORC (0.60) RORCNR1I2RORANR1H2NR1H3
SCHEMBL15628899 0.82 RORC (0.60) RORCNR1I2RORANR1H2NR1H3
SCHEMBL5021852 0.81 RORC (0.66) RORCNR1I2RORANR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 9/4885RORA 3/4885

“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.