SCHEMBL8100115

SCHEMBL8100115

O=S(O)c1cccc(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
PARP1 P09874 1/20 0.42
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ACHE P22303 1/20 0.39
KCNN4 O15554 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NFE2L2 Q16236 1/20 0.38
ESR2 Q92731 1/20 0.38
IDO1 P14902 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
FAAH O00519 1/20 0.35
MGLL Q99685 1/20 0.35
CA12 O43570 1/20 0.35

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
SCHEMBL1584059 0.98 CES2 (0.43) CES2CES1PARP1HDAC1HDAC6
SCHEMBL10775693 0.83 HPGD (0.32) CA12CA9CA14
SCHEMBL1584057 0.77 CES2 (0.40) CES2CES1PARP1HDAC1HDAC6
SCHEMBL18434981 0.76 HDAC8 (0.45) MEN1KMT2AHDAC4MGLL
SCHEMBL10344609 0.75 CES2 (0.42) CES2CES1CA12CA9
SCHEMBL24863821 0.74 ALDH1A1 (0.50) PARP1ACHEKMT2ACA12CA9
SCHEMBL7621372 0.74 CYP3A4 (0.50) CA12CA9CA14TSHR
SCHEMBL31615436 0.74 ALDH1A1 (0.50) PARP1ACHEKMT2ACA12CA9
Hydrogen Sulfide SCHEMBL27914319 0.74 HDAC8 (0.44) HDAC4MGLL
SCHEMBL1583684 0.73 CES2 (0.40) CES2CES1CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11802110-B2 2-amino-N-(arylsulfinyl)-acetamide compounds as inhibitors of bacterial aminoacyl-tRNA synthetase Oxford Drug Design Limited (GB) 2023-10-31 US disclosed
US-20200039929-A1 2-AMINO-N-(ARYLSULFINYL)-ACETAMIDE COMPOUNDS AS INHIBITORS OF BACTERIAL AMINOACYL-TRNA SYNTHETASE INHIBOX LIMITED (GB) 2020-02-06 US disclosed
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-2014148438-A1 THERAPEUTIC AGENT FOR HEPATITIS C WHICH COMPRISES 4-(1,1,1,3,3,3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL)BENZENE DERIVATIVE 国立大学法人岡山大学 (JP) 2014-09-25 WO 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
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
US-20090018134-A1 Compounds - 945 ASTRAZENECA AB (SE) 2009-01-15 US disclosed
WO-2009007748-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 WO disclosed
US-4600709-A ANTIEDEMIC, HYPOTENSIVE, DIURETIC CIBA-GEIGY AG (CH) 1986-07-15 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 (5 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 CES2 213/4885CES1 178/4885PARP1 4138/4885
US-20090018134-A1 Compounds - 945 MTOR, PIK3CA, PIK3R5 CES2 2150/4885CES1 2220/4885PARP1 1146/4885
US-11802110-B2 2-amino-N-(arylsulfinyl)-acetamide compounds as inhibitors of bacterial aminoacyl-tRNA synthetase AARS1, NSUN3, GARS1 CES2 1372/4885CES1 1245/4885PARP1 2614/4885
US-20200039929-A1 2-AMINO-N-(ARYLSULFINYL)-ACETAMIDE COMPOUNDS AS INHIBITORS OF BACTERIAL AMINOACYL-TRNA SYNTHETASE AARS1, NSUN3, GARS1 CES2 1372/4885CES1 1245/4885PARP1 2614/4885
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 CES2 826/4885CES1 449/4885PARP1 3525/4885

“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.