SCHEMBL5022148

SCHEMBL5022148

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.49
HDAC1 Q13547 1/20 0.46
KCNJ11 Q14654 3/20 0.44
ABCC9 O60706 1/20 0.43
ABCC8 Q09428 1/20 0.43
KCNJ8 Q15842 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 4/20 0.40
NPY5R Q15761 1/20 0.40
CYP1A2 P05177 1/20 0.40

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) KCNJ11ABCC9ABCC8KCNJ8L3MBTL1
SCHEMBL1430230 0.83 KMT2A (0.55) HDAC1SMN1; SMN2KMT2AALDH1A1CYP1A2
SCHEMBL23322563 0.83 PTGS2 (0.49) PTGS2KMT2AALDH1A1
SCHEMBL20560736 0.83 PTGS2 (0.49) PTGS2L3MBTL1KMT2AALDH1A1
SCHEMBL5022119 0.83 L3MBTL1 (0.53) PTGS2KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL10897021 0.83 RIPK1 (0.51) KCNJ11ABCC9ABCC8KCNJ8L3MBTL1
SCHEMBL15625386 0.82 ALDH1A1 (0.49) PTGS2KCNJ11SMN1; SMN2KMT2AALDH1A1
SCHEMBL11856156 0.81 KCNJ11 (0.49) KCNJ11ABCC9ABCC8KCNJ8L3MBTL1
SCHEMBL28513817 0.79 PTGS2 (0.44) PTGS2L3MBTL1SMN1; SMN2KMT2AALDH1A1
SCHEMBL9474094 0.79 KCNJ11 (0.42) KCNJ11ABCC9ABCC8KCNJ8L3MBTL1

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-0470669-B1 Preparation of fluorophenols, fluorohalophenols, N-acylfluoroanilines, and N-acylfluorohaloanilines DOWELANCO (US) 1997-11-12 EP disclosed
US-5164502-A Fluorinating agents DOWELANCO (US) 1992-11-17 US disclosed
EP-0470669-A2 Preparation of fluorophenols, fluorohalophenols, N-acylfluoroanilines, and N-acylfluorohaloanilines DOWELANCO (US) 1992-02-12 EP 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 PTGS2 1241/4885HDAC1 458/4885KCNJ11 1846/4885

“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.