SCHEMBL5994740

SCHEMBL5994740

COC(=O)CCSC(C)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.50
MAOB P27338 2/20 0.49
ACACB O00763 1/20 0.49
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LTA4H P09960 1/20 0.48
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL31290475 0.84 CA12 (0.49) LMNAALDH1A1
SCHEMBL20457566 0.79 ALOX5 (0.53) ALOX5MAOBACACBLMNAL3MBTL1
SCHEMBL1747136 0.76 FFAR1 (0.72) MAOBNPC1RAB9ASMN1; SMN2LTA4H
SCHEMBL31579489 0.76 LTA4H (0.60) ALOX5MAOBACACBLMNAL3MBTL1
SCHEMBL1745247 0.76 FFAR1 (0.72) MAOBNPC1RAB9ASMN1; SMN2LTA4H
SCHEMBL1508259 0.76 MAOB (0.57) ALOX5MAOBACACBNPC1RAB9A
SCHEMBL8770978 0.76 MAOB (0.57) ALOX5MAOBACACBNPC1RAB9A
SCHEMBL28757877 0.75 ALOX5 (0.58) ALOX5ACACBLMNAL3MBTL1NPC1
SCHEMBL6266373 0.75 LTA4H (0.59) ALOX5MAOBACACBLMNAL3MBTL1
SCHEMBL2985256 0.74 MAOB (0.56) ALOX5MAOBNPC1RAB9ASMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060173204-A1 New 3-aryl propionic acid derivatives and analogs ANDERSSON KJELL 2006-08-03 US disclosed
US-20040229949-A1 New 3-aryl propionic acid derivatives and analogs ANDERSSON KJELL (SE) 2004-11-18 US disclosed
US-6630600-B1 Intermediate for their manufacture, pharmaceutical preparations containing them and the use of the compounds in clinical conditions associated with insulin resistance. ASTRAZENECA AB (SE) 2003-10-07 US disclosed
EP-1084102-B1 NEW 3-ARYL PROPIONIC ACID DERIVATIVES AND ANALOGS ASTRAZENECA AB (SE) 2003-10-01 EP disclosed
EP-1084102-A1 NEW 3-ARYL PROPIONIC ACID DERIVATIVES AND ANALOGS AstraZeneca AB (SE) 2001-03-21 EP disclosed
WO-1999062871-A1 NEW 3-ARYL PROPIONIC ACID DERIVATIVES AND ANALOGS ASTRAZENECA AB (SE) 1999-12-09 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-20040229949-A1 New 3-aryl propionic acid derivatives and analogs GPR119, INSR, IRS1 ALOX5 2328/4885MAOB 3111/4885ACACB 83/4885
US-20060173204-A1 New 3-aryl propionic acid derivatives and analogs GPR119, INSR, IRS1 ALOX5 2328/4885MAOB 3111/4885ACACB 83/4885

“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.