SCHEMBL9838854

SCHEMBL9838854

CCOC(=O)C1(CC)SCCCS1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ATM Q13315 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALOX15 P16050 2/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SOAT1 P35610 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
OPRM1 P35372 3/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GLO1 Q04760 1/20 0.31
OPRD1 P41143 2/20 0.30

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
SCHEMBL10749227 0.82 POLB (0.32) POLBALDH1A1SMN1; SMN2ATMMEN1
SCHEMBL4157144 0.81 OPRM1 (0.33) POLBALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL112279 0.81 POLB (0.34) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL22234663 0.81 MAPK1 (0.39) POLBALDH1A1SMN1; SMN2LMNAATM
SCHEMBL21936501 0.80 POLB (0.32) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL26984722 0.80 OPRM1 (0.31) POLBSMN1; SMN2OPRM1OPRD1OPRK1
SCHEMBL10747840 0.80 MGAM (0.31) POLBSMN1; SMN2MGAMGAASI
SCHEMBL961613 0.79 ABCB11 (0.34) LMNAMEN1KMT2AMAPT
SCHEMBL10705320 0.77 ABCB11 (0.32) ALDH1A1LMNAMAPTTRPA1
SCHEMBL7277882 0.76 KDM4E (0.46) POLBALDH1A1SMN1; SMN2LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7749990-B2 [3-(2,6-Dimethylbenzyloxy)-phenyl]-oxoacetic acid, useful for the treatment of insulin resistance syndrome, diabetes, hyperlipidemia, fatty liver disease, cachexia, obesity, atherosclerosis and arteriosclerosis WELLSTAT THERAPEUTICS CORPORATION (US) 2010-07-06 US disclosed
US-20090005451-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORPORATION (US) 2009-01-01 US disclosed
US-7442796-B2 Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION (US) 2008-10-28 US disclosed
US-20070173544-A1 Compounds for the treatment of metabolic disorders PHARMA CINQ, LLC 2007-07-26 US disclosed
WO-1991002741-A1 SUGAR ALCOHOL DERIVATIVES, A PROCESS FOR PREPARING 3-DEOXY-2-OCTULOSONIC ACID AND 3-DEOXY-2-HEPTULOSONIC ACID COMPOUNDS AND DERIVATIVES RIJKSUNIVERSITEIT TE LEIDEN (NL) 1991-03-07 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-20070173544-A1 Compounds for the treatment of metabolic disorders CPT1B, GPR119, CPT1A POLB 1750/4885ALDH1A1 2897/4885SMN1; SMN2 1064/4885
US-20090005451-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS CPT1B, FABP1, CPT1A POLB 2115/4885ALDH1A1 2329/4885SMN1; SMN2 876/4885

“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.