SCHEMBL4560658

SCHEMBL4560658

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

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
RORC P51449 4/20 0.53
LMNA P02545 4/20 0.53
TP53 P04637 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
IDO1 P14902 2/20 0.51
KCNH2 Q12809 2/20 0.51
CPT1A P50416 1/20 0.51
CPT1B Q92523 1/20 0.51
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 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
SCHEMBL4561014 0.83 RORC (0.65) MAPTKMT2AMEN1CYP3A4CYP2D6
SCHEMBL4561842 0.83 SMN1; SMN2 (0.48) MAPTKMT2ATP53SMN1; SMN2IDO1
SCHEMBL15611426 0.80 MAPT (0.61) MAPTKMT2AMEN1CYP3A4CYP2D6
SCHEMBL4562290 0.78 RORC (0.74) MAPTKMT2AMEN1CYP3A4CYP2D6
SCHEMBL15611049 0.76 RORC (0.55) MAPTKMT2AMEN1CYP3A4CYP2D6
SCHEMBL5022252 0.75 RORC (0.70) MAPTRORCLMNATP53CPT1A
SCHEMBL5022249 0.73 RORC (0.79) MAPTRORCLMNATP53
SCHEMBL5023012 0.73 RORC (0.83) MAPTKMT2ARORCLMNATP53
SCHEMBL5022225 0.72 RORC (0.85) MAPTRORCLMNATP53SMN1; SMN2
SCHEMBL1494851 0.72 MAPT (0.65) MAPTKMT2AMEN1TP53SMN1; SMN2

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 MAPT 3512/4885KMT2A 1374/4885MEN1 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.