SCHEMBL2641408

SCHEMBL2641408

CC(C)(C)OC(=O)[C@@H](C(=O)O)[C@@H](S)CC(=O)c1ccc(OCc2c(F)cccc2F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAOB P27338 2/20 0.37
PTPN1 P18031 1/20 0.36
ALKBH1 Q13686 1/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
RAB9A P51151 3/20 0.35
LTA4H P09960 1/20 0.35
PARP15 Q460N3 1/20 0.35
PARP14 Q460N5 1/20 0.35
PARP10 Q53GL7 1/20 0.35
GRM5 P41594 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NR4A2 P43354 1/20 0.34
NPC1 O15118 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
SCHEMBL2089430 0.81 ALDH1A1 (0.36) MEN1KMT2AGAAL3MBTL1MAOB
SCHEMBL6763543 0.80 ALDH1A1 (0.40) MEN1KMT2AGAAL3MBTL1MAOB
SCHEMBL2086618 0.80 ALDH1A1 (0.40) MEN1KMT2AGAAL3MBTL1MAOB
SCHEMBL6322991 0.79 MAOB (0.42) MEN1KMT2AGAAMAOBALKBH1
SCHEMBL27750738 0.78 MAOB (0.45) GAAMAOBALKBH1RAB9APARP15
SCHEMBL27594863 0.77 MAOB (0.47) GAAL3MBTL1MAOBALKBH1RAB9A
SCHEMBL2087206 0.77 MAOB (0.47) GAAL3MBTL1MAOBALKBH1RAB9A
SCHEMBL6322990 0.76 MAOB (0.43) MEN1KMT2AGAAL3MBTL1MAOB
SCHEMBL12934372 0.73 PPARA (0.53) GAAPTPN1HPGDALDH1A1MAPT
SCHEMBL12934374 0.73 SMN1; SMN2 (0.43) MAOBPTPN1ALKBH1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4711621-B2 2011-06-29 JP claimed
EP-1461323-A2 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Wellstat Therapeutics Corporation (US) 2004-09-29 EP claimed
US-20030149107-A1 Compounds for the treatment of metabolic disorders PHARMA CINQ, LLC 2003-08-07 US claimed
WO-2002100341-A2 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORPORATION (US) 2002-12-19 WO claimed
US-7851494-B2 Method for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION (US) 2010-12-14 US disclosed
US-20070265323-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORPORATION (US) 2007-11-15 US disclosed
US-20070249719-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORPORATION (US) 2007-10-25 US disclosed
US-20050256333-A1 Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION 2005-11-17 US disclosed
US-6916848-B2 Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION (US) 2005-07-12 US disclosed
EP-1461323-A2 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Wellstat Therapeutics Corporation (US) 2004-09-29 EP disclosed
US-20040092518-A1 Compounds for the treatment of metabolic disorders PHARMA CINQ, LLC 2004-05-13 US disclosed
US-20040077896-A1 Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION 2004-04-22 US disclosed
US-20030149107-A1 Compounds for the treatment of metabolic disorders PHARMA CINQ, LLC 2003-08-07 US disclosed
WO-2002100341-A2 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORPORATION (US) 2002-12-19 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 (6 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-20040092518-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B MEN1 2137/4885KMT2A 3364/4885GAA 167/4885
US-20070249719-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS GOT2, OAT, CPT1B MEN1 2137/4885KMT2A 3364/4885GAA 167/4885
US-20040077896-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B MEN1 2137/4885KMT2A 3364/4885GAA 167/4885
US-20050256333-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B MEN1 2137/4885KMT2A 3364/4885GAA 167/4885
US-20030149107-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B MEN1 2137/4885KMT2A 3364/4885GAA 167/4885
US-20070265323-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS GOT2, OAT, CPT1B MEN1 2137/4885KMT2A 3364/4885GAA 167/4885

“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.