SCHEMBL2147884

SCHEMBL2147884

CCOC(=O)CC(=O)Nc1c(C(C)C)cccc1C(C)C

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 3/20 0.70
SMN1; SMN2 Q16637 1/20 0.60
SOAT1 P35610 3/20 0.53
SOAT2 O75908 2/20 0.53
MAPK1 P28482 1/20 0.53
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
LMNA P02545 2/20 0.49
TSHR P16473 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 1/20 0.48
PKM P14618 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
SCHEMBL9136766 0.85 NLRP3 (0.62) NLRP3SMN1; SMN2SOAT1SOAT2MAPK1
SCHEMBL9843936 0.84 SMN1; SMN2 (0.77) NLRP3SMN1; SMN2SOAT1SOAT2KMT2A
SCHEMBL28188485 0.83 NLRP3 (0.81) NLRP3SMN1; SMN2MAPK1KMT2AMEN1
SCHEMBL20702692 0.82 NLRP3 (1.00) NLRP3SMN1; SMN2MAPK1KMT2ALMNA
SCHEMBL13328399 0.81 NLRP3 (0.58) NLRP3SMN1; SMN2SOAT1SOAT2MAPK1
SCHEMBL6887530 0.81 NLRP3 (0.67) NLRP3MAPK1KMT2AMEN1LMNA
SCHEMBL28229524 0.80 SMN1; SMN2 (0.72) NLRP3SMN1; SMN2SOAT1SOAT2MAPK1
SCHEMBL11267236 0.80 NLRP3 (0.63) NLRP3SMN1; SMN2MAPK1KMT2ALMNA
SCHEMBL2148218 0.79 SMN1; SMN2 (0.70) NLRP3SMN1; SMN2SOAT1SOAT2KMT2A
SCHEMBL8962550 0.78 NLRP3 (0.58) NLRP3MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981936-B2 Crystalline ACAT inhibitor GRACEWAY PHARMACEUTICALS, LLC (US) 2011-07-19 US disclosed
US-20100324145-A1 Crystalline ACAT Inhibitor GRACEWAY PHARMACEUTICALS, LLC (US) 2010-12-23 US disclosed
US-7622610-B2 Topical, oily skin disorders such as acne; N-benzyl-N'-(2,6-diisopropyl-phenyl)-N-isopropyl-malonamide GRACEWAY PHARMACEUTICALS, LLC (US) 2009-11-24 US disclosed
CN-101111470-A Crystalline acat (acyl-coa:cholesterol o-acyltransferase) inhibitor WARNER LAMBERT CO (US) 2008-01-23 CN disclosed
EP-1856029-A1 CRYSTALLINE ACAT INHIBITOR Warner-Lambert Company LLC (US) 2007-11-21 EP disclosed
WO-2006090274-A1 CRYSTALLINE ACAT INHIBITOR WARNER-LAMBERT COMPANY LLC (US) 2006-08-31 WO disclosed
US-20060189697-A1 Crystalline ACAT inhibitor WARNER-LAMBERT COMPANY LLC 2006-08-24 US disclosed
WO-1991015464-A1 AMIDE ESTER ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1991-10-17 WO disclosed
EP-0433662-A2 Acat inhibitors WARNER-LAMBERT COMPANY (US) 1991-06-26 EP 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-20060189697-A1 Crystalline ACAT inhibitor ACAT2, ACAT1, ACACA NLRP3 2809/4885SMN1; SMN2 4094/4885SOAT1 36/4885
US-20100324145-A1 Crystalline ACAT Inhibitor ACAT2, ACAT1, ACACA NLRP3 2809/4885SMN1; SMN2 4094/4885SOAT1 36/4885

“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.