SCHEMBL8046808

SCHEMBL8046808

FC(F)(F)[CH]c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
LMNA P02545 1/20 0.42
CYP2A6 P11509 1/20 0.42
AHR P35869 2/20 0.41
MAOB P27338 1/20 0.41
CYP1A2 P05177 1/20 0.38
NFE2L2 Q16236 1/20 0.38
FBP1 P09467 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
CYP19A1 P11511 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL11398496 0.76 HSD17B10 (0.48) HSD17B10LMNACYP2A6AHRMAOB
SCHEMBL9954440 0.76 NFE2L2 (0.44) NFE2L2FBP1GRIN2DGRIN3BGRIN1
SCHEMBL9227835 0.75 AHR (0.48) HSD17B10LMNACYP2A6AHRMAOB
SCHEMBL16959911 0.75 TRPA1 (0.41) AHRMAOBNFE2L2ALDH1A1MAPT
SCHEMBL8438859 0.74 AHR (0.47) AHR
SCHEMBL8441396 0.74 HSD17B10 (0.46) HSD17B10LMNACYP2A6AHRMAOB
SCHEMBL148197 0.74 CYP2A6 (0.42) LMNACYP2A6MAOBNPC1ALDH1A1
SCHEMBL67469 0.72 ALDH1A1 (0.41) LMNACYP2A6MAOBNFE2L2ALDH1A1
SCHEMBL21411402 0.72 CHRM5 (0.52) MAOBCYP1A2NFE2L2FBP1ALDH1A1
SCHEMBL13738227 0.70 NPC1 (0.40) NFE2L2NPC1ALDH1A1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663502-B2 2-Acylamidomethyl and sulfonylamidomethyl benzoxazine carbamates for inhibition of RORgamma activity and the treatment of disease LYCERA CORPORATION (US) 2017-05-30 US claimed
US-9663502-B2 2-Acylamidomethyl and sulfonylamidomethyl benzoxazine carbamates for inhibition of RORgamma activity and the treatment of disease LYCERA CORPORATION (US) 2017-05-30 US disclosed
US-20160304505-A1 2-ACYLAMIDOMETHYL AND SULFONYLAMIDOMETHYL BENZOXAZINE CARBAMATES FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2016-10-20 US disclosed
WO-2015169723-A1 INSECTICIDAL COMPOUNDS BASED ON THIOPHENE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2015-11-12 WO disclosed
EP-2922831-A1 PESTICIDAL COMPOUNDS BASED ON ARYLTHIOSULFONAMIDE DERIVATIVES Syngenta Participations AG (CH) 2015-09-30 EP disclosed
WO-2015095788-A1 2-ACYLAMIDOMETHYL AND SULFONYLAMIDOMETHYL BENZOXAZINE CARBAMATES FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME CORP. (US) 2015-06-25 WO disclosed
WO-2014079937-A1 PESTICIDAL COMPOUNDS BASED ON ARYLTHIOSULFONAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2014-05-30 WO disclosed
EP-2661428-A1 QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS Merck Sharp & Dohme Corp. (US) 2013-11-13 EP disclosed
WO-2012087861-A1 QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. (US) 2012-06-28 WO disclosed
CN-102076650-A Carboxylic acid compound DAIICHI SANKYO CO LTD 2011-05-25 CN disclosed
US-6034086-A VIRICIDES; AIDS THERAPY UBE INDUSTRIES, LTD. 2000-03-07 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-20160304505-A1 2-ACYLAMIDOMETHYL AND SULFONYLAMIDOMETHYL BENZOXAZINE CARBAMATES FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORA, RORB, RORC HSD17B10 1247/4885LMNA 4222/4885CYP2A6 464/4885

“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.