SCHEMBL6601459

SCHEMBL6601459

CCCC(=O)c1c(F)cccc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.52
CES1 P23141 2/20 0.52
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HSD17B3 P37058 1/20 0.44
KDM4E B2RXH2 1/20 0.42
TRPA1 O75762 1/20 0.42
F2R P25116 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
RAB9A P51151 3/20 0.41
HTR7 P34969 1/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 2/20 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
SCHEMBL14454140 0.89 CES2 (0.45) CES2CES1ALDH1A1MAPTMEN1
SCHEMBL14454259 0.89 CES2 (0.45) CES2CES1ALDH1A1MAPTMEN1
SCHEMBL1162543 0.83 CES2 (0.56) CES2CES1ALDH1A1MAPTMEN1
SCHEMBL12934272 0.82 CES2 (0.50) CES2CES1ALDH1A1MAPTMEN1
SCHEMBL28910438 0.81 CES2 (0.54) CES2CES1ALDH1A1MAPTMEN1
SCHEMBL14384875 0.80 KDM4E (0.44) CES2CES1ALDH1A1MAPTMEN1
SCHEMBL2088179 0.79 CES2 (0.52) CES2CES1ALDH1A1MAPTMEN1
SCHEMBL11836782 0.79 CES2 (0.57) CES2CES1ALDH1A1MAPTMEN1
SCHEMBL14571482 0.78 NLRP3 (0.50) CES2CES1ALDH1A1MEN1KMT2A
SCHEMBL3121320 0.78 ALDH1A1 (0.57) CES2CES1ALDH1A1MAPTKMT2A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8552062-B2 Methods for the treatment of metabolic disorders such as diabetes WELLSTAT THERAPEUTICS CORPORATION (US) 2013-10-08 US disclosed
US-8487000-B2 4-(3-(2,6-Dimethoxybenzyloxy)phenyl)-4-oxobutyric acid or derivatives for treatment of insulin resistance syndrome, diabetes, cachexia, hyperlipidemia, fatty liver disease, obesity, atherosclerosis or arteriosclerosis Wellstat Therapertics Corporation (US) 2013-07-16 US disclosed
US-7863475-B2 Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION (US) 2011-01-04 US disclosed
US-7851494-B2 Method for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION (US) 2010-12-14 US disclosed
US-7547802-B2 5-[3-(2,6-Dimethylbenzyloxy)-phenyl]-pent-4-enoic acid ethyl ester; insulin resistance syndrome, diabetes, cachexia, hyperlipidemia, fatty liver disease, obesity, atherosclerosis, arteriosclerosis; side effects reduction; orally active WELLSTAT THERAPEUTICS CORPORATION (US) 2009-06-16 US disclosed
US-7329782-B2 Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION (US) 2008-02-12 US disclosed
US-20080027229-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORPORATION (US) 2008-01-31 US disclosed
US-20080021109-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORPORATION (US) 2008-01-24 US disclosed
US-20080015209-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORPORATION (US) 2008-01-17 US disclosed
US-20070265322-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORPORATION (US) 2007-11-15 US disclosed
US-20070249696-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORPORATION (US) 2007-10-25 US disclosed
US-20070244171-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORPORATION (US) 2007-10-18 US disclosed
US-20070244141-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORPORATION (US) 2007-10-18 US disclosed
US-20070244172-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORPORATION (US) 2007-10-18 US disclosed
US-20070105958-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORPORATION (US) 2007-05-10 US disclosed
US-20040204417-A1 Novel benzothienyl or indole derivatives, preparation and use thereof as inhibitors of prenyl transferase proteins PIERRE FABRE MEDICAMENT (FR) 2004-10-14 US disclosed
EP-1395581-A2 NOVEL BENZOTHIENYL OR INDOLE DERIVATIVES, PREPARATION AND USE THEREOF AS INHIBITORS OF PRENYL TRANSFERASE PROTEINS PIERRE FABRE MEDICAMENT (FR) 2004-03-10 EP disclosed
WO-2002098852-A2 NOVEL BENZOTHIENYL OR INDOLE DERIVATIVES, AND USE THEREOF AS INHIBITORS OF PRENYL TRANSFERASE PROTEINS PIERRE FABRE MEDICAMENT (FR) 2002-12-12 WO disclosed
EP-0122693-B1 ANTIFUNGAL DI(AZOLYL)PROPANOL DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-07-08 EP disclosed
US-4625036-A Antifungal azole compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-11-25 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 (10 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-20070249696-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS GOT2, OAT, CPT1B CES2 425/4885CES1 45/4885ALDH1A1 1035/4885
US-20070105958-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS GOT2, OAT, CPT1B CES2 425/4885CES1 45/4885ALDH1A1 1035/4885
US-20080015209-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS GOT2, OAT, CPT1B CES2 425/4885CES1 45/4885ALDH1A1 1035/4885
US-20070244171-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS GOT2, OAT, CPT1B CES2 425/4885CES1 45/4885ALDH1A1 1035/4885
US-20080027229-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS GOT2, OAT, CPT1B CES2 425/4885CES1 45/4885ALDH1A1 1035/4885
US-20080021109-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS GOT2, OAT, CPT1B CES2 425/4885CES1 45/4885ALDH1A1 1035/4885
US-20040204417-A1 Novel benzothienyl or indole derivatives, preparation and use thereof as inhibitors of prenyl transferase proteins CBR1, CBR3, HCCS CES2 376/4885CES1 21/4885ALDH1A1 2558/4885
US-20070265322-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS GOT2, OAT, CPT1B CES2 425/4885CES1 45/4885ALDH1A1 1035/4885
US-20070244172-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS GOT2, OAT, CPT1B CES2 425/4885CES1 45/4885ALDH1A1 1035/4885
US-20070244141-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS GOT2, OAT, CPT1B CES2 425/4885CES1 45/4885ALDH1A1 1035/4885

“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.