SCHEMBL5160673

SCHEMBL5160673

CC(C)(C)OC(=O)CC(=O)c1ccco1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
ERCC5 P28715 1/20 0.54
FEN1 P39748 1/20 0.54
MAPT P10636 5/20 0.46
ALDH1A1 P00352 5/20 0.46
POLB P06746 4/20 0.46
ALOX15 P16050 3/20 0.46
HSD17B10 Q99714 3/20 0.46
RECQL P46063 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HPGD P15428 2/20 0.46
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44

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
SCHEMBL4459612 0.83 ERCC5 (0.61) NPC1RAB9ASMN1; SMN2ERCC5FEN1
SCHEMBL1126497 0.79 ERCC5 (0.56) NPC1RAB9ASMN1; SMN2ERCC5FEN1
SCHEMBL6320074 0.78 ERCC5 (0.74) NPC1RAB9ASMN1; SMN2ERCC5FEN1
SCHEMBL31757804 0.78 GLA (0.58) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL24831487 0.78 SMN1; SMN2 (0.54) NPC1RAB9ASMN1; SMN2ERCC5FEN1
SCHEMBL27383298 0.78 NPC1 (0.56) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL5161664 0.77 ERCC5 (0.54) NPC1RAB9ASMN1; SMN2ERCC5FEN1
SCHEMBL29054123 0.77 ERCC5 (0.54) NPC1RAB9ASMN1; SMN2ERCC5FEN1
SCHEMBL28015234 0.77 ALDH1A1 (0.49) NPC1RAB9ASMN1; SMN2ERCC5FEN1
SCHEMBL28020549 0.77 ERCC5 (0.57) SMN1; SMN2ERCC5FEN1MAPTALDH1A1

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
US-8293899-B2 Ketone transfer hydrogenation of stereoisomerically enriched 3-heteroaryl-3-oxocarboxylic esters by reducing 3-heteroaryl-3-hydroxycarboxylic esters in the presence of a ruthenium-containing catalyst, an amine and formic acid and/or formates LANXESS DEUTSCHLAND GMBH (DE) 2012-10-23 US disclosed
EP-1340746-B1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives SALTIGO GMBH (DE) 2007-02-28 EP disclosed
US-6924300-B2 Oxyiminoalkanoic acid derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-02 US disclosed
EP-1077957-B1 OXYIMINOALKANOIC ACID DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-08-04 EP disclosed
EP-1428531-A1 Oxyiminoalkanoic acid derivatives with hypoglycemic and hypolipidemic activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-06-16 EP disclosed
CN-1148361-C Oxyiminoalkanoic acid derivatives ����ҩƷ��ҵ��ʽ���� 2004-05-05 CN disclosed
US-20030225274-A1 Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2003-12-04 US disclosed
US-20030186985-A1 Oxyiminoalkanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
EP-1340746-A1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives BAYER AG (DE) 2003-09-03 EP disclosed
US-6495581-B1 DRUG FOR TREATING DIABETES MELLITUS, HYPERLIPEMIA, IMPAIRED GLUCOSE TOLERANCE, ARTERIAL SCLEROSIS AND IMPROVING INSULIN RESISTANCE, INFLAMMATORY DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-12-17 US disclosed
US-6251926-B1 OXYIMINOALKANOIC ACID DERIVATIVES HAVING HYPOGLYCEMIC EFFECT AND HYPOLIPIDEMIC EFFECT, IS USEFUL FOR TREATMENT OF DIABETES MELLITUS, HYPERLIPEMIA, IMPAIRED GLUCOSE TOLERANCE INFLAMMATORY DISEASE AND ARTERIOSCLEROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-26 US disclosed
CN-1300285-A Hydroxyiminoalkanoic Acid Derivatives TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-06-20 CN disclosed
EP-1077957-A1 OXYIMINOALKANOIC ACID DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Chemical Industries, Ltd. (JP) 2001-02-28 EP disclosed
WO-1999058510-A1 OXYIMINOALKANOIC ACID DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-11-18 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-20030186985-A1 Oxyiminoalkanoic acid derivatives GPR119, IRS1, CPT1A NPC1 1015/4885RAB9A 2830/4885SMN1; SMN2 3404/4885
US-20030225274-A1 Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives GRHPR, HPD, HAAO NPC1 2400/4885RAB9A 3428/4885SMN1; SMN2 4683/4885

“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.