SCHEMBL1506478

SCHEMBL1506478

COC(=O)c1cc2c(cc1NC(=O)OC(C)C)CCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 5/20 0.41
CYP1A2 P05177 5/20 0.39
HPGD P15428 3/20 0.39
CYP2C19 P33261 2/20 0.39
NPC1 O15118 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
MAOB P27338 1/20 0.38
ATM Q13315 1/20 0.38
MAPT P10636 2/20 0.37
CYP3A4 P08684 2/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37

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
SCHEMBL1506638 0.82 MAOB (0.38) CYP1A2HPGDCYP2C19NPC1CYP2D6
SCHEMBL13255021 0.82 MAOB (0.38) CYP1A2HPGDCYP2C19NPC1CYP2D6
SCHEMBL28834897 0.81 MAPT (0.43) CYP1A2HPGDCYP2C19RAB9ASMN1; SMN2
SCHEMBL30951181 0.81 MAPT (0.43) CYP1A2HPGDCYP2C19RAB9ASMN1; SMN2
SCHEMBL13255032 0.79 HPGD (0.34) CYP1A2HPGDCYP2C19NPC1CYP2D6
SCHEMBL13255018 0.79 HPGD (0.34) CYP1A2HPGDCYP2C19NPC1CYP2D6
SCHEMBL26829548 0.77 ATM (0.46) HPGDNPC1RAB9AALDH1A1KDM4E
SCHEMBL2478781 0.75 NLRP3 (0.46) NLRP3CYP1A2HPGDCYP2C19NPC1
SCHEMBL1506498 0.75 NLRP3 (0.40) NLRP3CYP1A2HPGDCYP2C19NPC1
SCHEMBL3532988 0.74 HPGD (0.42) CYP1A2HPGDCYP2C19NPC1CYP2D6

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 10 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-7749992-B2 Compounds and methods for treating dislipidemia ELI LILLY AND COMPANY (US) 2010-07-06 US disclosed
US-7749992-B2 Compounds and methods for treating dislipidemia ELI LILLY AND COMPANY (US) 2010-07-06 US disclosed
EP-2098512-A1 Compounds and methods for treating dyslipidemia Eli Lilly & Company (US) 2009-09-09 EP 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
US-20070254869-A1 Compounds And Methods For Treating Dislipidemia ELI LILLY AND COMPANY (US) 2007-11-01 US disclosed
US-20070254869-A1 Compounds And Methods For Treating Dislipidemia ELI LILLY AND COMPANY (US) 2007-11-01 US 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 (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-20090042892-A1 Cetp Inhibitors CETP, APOB, MTTP NLRP3 3206/4885CYP1A2 886/4885HPGD 2538/4885
US-20070254869-A1 Compounds And Methods For Treating Dislipidemia APOB, CETP, PCSK9 NLRP3 4458/4885CYP1A2 1417/4885HPGD 3540/4885

“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.