SCHEMBL5021967

SCHEMBL5021967

O=C(Nc1c(Cl)cccc1Cl)c1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCO2

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 9/20 0.60
CPT2 P23786 6/20 0.60
CPT1B Q92523 7/20 0.58
RORC P51449 5/20 0.54
CYP2C9 P11712 1/20 0.53
PTGER3 P43115 1/20 0.48
MAPT P10636 1/20 0.47
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46

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
SCHEMBL5021972 0.95 CPT1A (0.58) CPT1ACPT2CPT1BRORCCYP2C9
SCHEMBL5021974 0.90 CPT1A (0.56) CPT1ACPT2CPT1BRORCCYP2C9
SCHEMBL15625873 0.83 RORC (0.68) CPT1ACPT2CPT1BRORCNR1H2
SCHEMBL28823982 0.82 RORC (0.66) CPT1ACPT2CPT1BRORCCYP2C9
SCHEMBL5021975 0.81 RORC (0.75) CPT1ACPT2CPT1BRORCNR1H2
SCHEMBL2001650 0.79 CNR1 (0.67) CPT1ACPT2CPT1BRORCCYP2C9
SCHEMBL1999963 0.78 CYP2C9 (0.56) CPT1ACPT2CPT1BRORCCYP2C9
SCHEMBL755026 0.77 CPT1A (0.80) CPT1ACPT2CPT1BRORCMAPT
SCHEMBL18581858 0.75 CPT1A (0.62) CPT1ACPT2CPT1BCYP2C9MAPT
SCHEMBL753150 0.75 CPT1A (1.00) CPT1ACPT2CPT1BMAPT

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 4 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
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 CPT1A 998/4885CPT2 2143/4885CPT1B 2972/4885

“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.