SCHEMBL1506498

SCHEMBL1506498

COC(=O)c1c(NC(=O)OC(C)C)ccc2c1CCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 5/20 0.40
CYP1A2 P05177 4/20 0.40
HPGD P15428 4/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
NPC1 O15118 1/20 0.40
CYP2D6 P10635 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 4/20 0.38
TLR2 O60603 4/20 0.37
USP2 O75604 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPK1 P28482 1/20 0.37
TP53 P04637 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
POLB P06746 2/20 0.36
CYP3A4 P08684 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL2478781 0.80 NLRP3 (0.46) NLRP3CYP1A2HPGDCYP2C9CYP2C19
SCHEMBL17209418 0.75 METAP2 (0.43) NLRP3NPC1RAB9AALDH1A1METAP2
SCHEMBL1506478 0.75 NLRP3 (0.41) NLRP3CYP1A2HPGDCYP2C9CYP2C19
SCHEMBL3534017 0.75 KDM4E (0.43) CYP1A2HPGDCYP2C9CYP2C19NPC1
SCHEMBL3529435 0.74 KDM4E (0.46) CYP1A2HPGDCYP2C9CYP2C19NPC1
SCHEMBL38663769 0.73 ALDH1A1 (0.43) CYP1A2HPGDCYP2C9CYP2C19KDM4E
SCHEMBL29660440 0.72 SLC6A3 (0.44) HPGDNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL22102932 0.72 SLC6A3 (0.44) HPGDNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1506559 0.72 ALDH1A1 (0.43) CYP1A2HPGDCYP2C9CYP2C19NPC1
SCHEMBL13227856 0.72 NLRP3 (0.48) NLRP3CYP1A2HPGDCYP2C9CYP2C19

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
EP-1971595-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2013-10-16 EP disclosed
US-7910592-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2011-03-22 US disclosed
US-20090042892-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-02-12 US disclosed
EP-1971595-A2 CETP INHIBITORS Merck & Co., Inc. (US) 2008-09-24 EP disclosed
WO-2007081569-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-07-19 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 (1 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-20090042892-A1 Cetp Inhibitors CETP, APOB, MTTP NLRP3 3206/4885CYP1A2 886/4885HPGD 2538/4885

“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.