SCHEMBL1584430

SCHEMBL1584430

O=S(O)c1cccc(OC(F)(F)F)c1.[NaH]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
NOTUM Q6P988 1/20 0.39
CETP P11597 1/20 0.38
KAT6A Q92794 1/20 0.38
P2RX1 P51575 1/20 0.38
FFAR1 O14842 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
MAPK14 Q16539 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL10344177 0.98 CYP11B1 (0.43) CYP11B1CYP11B2ALDH1A1GAAMAPT
SCHEMBL1584428 0.79 CHRM2 (0.40) CYP11B1CYP11B2ALDH1A1GAAMAPT
SCHEMBL615339 0.79 DRD1 (0.43) GAAMAPTALOX15HTTNPC1
SCHEMBL1584405 0.78 EPHX2 (0.47) GAAMAPTNPC1RAB9A
SCHEMBL20048749 0.78 CHRM2 (0.40) CYP11B1CYP11B2ALDH1A1GAAMAPT
SCHEMBL10344359 0.77 DRD1 (0.44) GAAMAPTALOX15HTTNPC1
SCHEMBL1584064 0.77 CES2 (0.48) ALDH1A1TSHRNPC1RAB9A
SCHEMBL10344487 0.76 EPHX2 (0.48) GAAMAPTNPC1RAB9A
SCHEMBL3147185 0.74 GPR3 (0.50) CETPCHRM2CHRM1CHRM3SLC22A12
SCHEMBL665658 0.74 CES2 (0.50) ALDH1A1TSHRNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9067949-B2 Benzofuro[3,2-c] pyridines and related analogs as serotonin sub-type 6 (5-HT6) modulators for the treatment of obesity, metabolic syndrome, cognition and schizophrenia ALBANY MOLECULAR RESEARCH, INC. (US) 2015-06-30 US disclosed
WO-2014028669-A1 NOVEL COMPOUNDS FOR MODULATION OF ROR-GAMMA ACTIVITY BIOGEN IDEC MA INC. (US) 2014-02-20 WO disclosed
EP-2668191-A2 BENZOFURO[3,2-C]PYRIDINES AND RELATED ANALOGS AS SEROTONIN SUB-TYPE 6 (5-HT6) MODULATORS FOR THE TREATMENT OF OBESITY, METABOLIC SYNDROME, COGNITION AND SCHIZOPHRENIA Albany Molecular Research, Inc. (US) 2013-12-04 EP disclosed
US-8575186-B2 Epiminocycloalkyl[b] indole derivatives as serotonin sub-type 6 (5-HT6) modulators and uses thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2013-11-05 US disclosed
WO-2012099952-A2 BENZOFURO[3,2-C] PYRIDINES AND RELATED ANALOGS AS SEROTONIN SUB-TYPE 6 (5-HT6) MODULATORS FOR THE TREATMENT OF OBESITY, METABOLIC SYNDROME, COGNITION AND SCHIZOPHRENIA ALBANY MOLECULAR RESEARCH, INC. (US) 2012-07-26 WO disclosed
US-20120184531-A1 BENZOFURO[3,2-c] PYRIDINES AND RELATED ANALOGS AS SEROTONIN SUB-TYPE 6 (5-HT6) MODULATORS FOR THE TREATMENT OF OBESITY, METABOLIC SYNDROME, COGNITION AND SCHIZOPHRENIA ALBANY MOLECULAR RESEARCH, INC. (US) 2012-07-19 US disclosed
US-20110112122-A1 EPIMINOCYCLOALKYL[b] INDOLE DERIVATIVES AS SEROTONIN SUB-TYPE 6 (5-HT6) MODULATORS AND USES THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-05-12 US disclosed
WO-2011044134-A1 EPIMINOCYCLOALKYL(B)INDOLE DERIVATIVES AS SEROTONIN SUB-TYPE 6 (5-HT6) MODULATORS AND USES THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-04-14 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 (2 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-20110112122-A1 EPIMINOCYCLOALKYL[b] INDOLE DERIVATIVES AS SEROTONIN SUB-TYPE 6 (5-HT6) MODULATORS AND USES THEREOF HTR6, HTR3B, HTR1B CYP11B1 114/4885CYP11B2 155/4885ALDH1A1 2187/4885
US-20120184531-A1 BENZOFURO[3,2-c] PYRIDINES AND RELATED ANALOGS AS SEROTONIN SUB-TYPE 6 (5-HT6) MODULATORS FOR THE TREATMENT OF OBESITY, METABOLIC SYNDROME, COGNITION AND SCHIZOPHRENIA HTR6, HTR5A, HTR2C CYP11B1 89/4885CYP11B2 87/4885ALDH1A1 1684/4885

“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.