SCHEMBL5022119

SCHEMBL5022119

CC(=O)Nc1c(Cl)cccc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
PDK1 Q15118 2/20 0.51
PDK2 Q15119 2/20 0.51
PDK3 Q15120 2/20 0.51
PDK4 Q16654 2/20 0.51
PTGS2 P35354 1/20 0.51
HPGD P15428 1/20 0.49
TYK2 P29597 1/20 0.48
KCNJ11 Q14654 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
GBA1 P04062 1/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ABCC9 O60706 1/20 0.43
ABCC8 Q09428 1/20 0.43
KCNJ8 Q15842 1/20 0.43

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
SCHEMBL5543551 0.89 KCNJ11 (0.49) L3MBTL1KCNJ11KDM4EPOLBABCC9
SCHEMBL1272335 0.83 PDK1 (0.53) PDK1PDK2PDK3PDK4TYK2
SCHEMBL10897021 0.83 RIPK1 (0.51) L3MBTL1PDK1PDK2PDK3PDK4
SCHEMBL5022148 0.83 PTGS2 (0.49) L3MBTL1PTGS2KCNJ11ABCC9ABCC8
SCHEMBL15625384 0.82 PTGS2 (0.51) L3MBTL1PDK1PDK2PDK3PDK4
SCHEMBL28154999 0.81 CLCN2 (0.52) L3MBTL1PDK1PDK2PDK3PDK4
SCHEMBL11856156 0.81 KCNJ11 (0.49) L3MBTL1PDK1PDK2PDK3PDK4
Hydrochloric Acid SCHEMBL5297660 0.81 PDK1 (0.51) PDK1PDK2PDK3PDK4TYK2
SCHEMBL10960660 0.81 PTGS2 (0.44) L3MBTL1PTGS2HPGDKCNJ11KDM4E
SCHEMBL9474094 0.79 KCNJ11 (0.42) L3MBTL1HPGDKCNJ11KDM4ETRPV1

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 7 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
EP-0507417-B1 Process for the selective reduction of the 4-halogen in 2,4-dihaloanilines DOWELANCO (US) 1995-11-08 EP disclosed
EP-0507417-A2 Process for the selective reduction of the 4-halogen in 2,4-dihaloanilines DOWELANCO (US) 1992-10-07 EP disclosed
US-5089653-A Having amine-protecting groups, such as diacetanilide or succinimide; palladium catalyst; hydrolyzing to deprotect DOW ELANCO (US) 1992-02-18 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 L3MBTL1 4153/4885PDK1 3444/4885PDK2 2844/4885

“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.