SCHEMBL3531895

SCHEMBL3531895

COC(=O)c1ccc(Br)c(C)c1NC(=O)OC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 5/20 0.40
MAOA P21397 1/20 0.38
CA12 O43570 4/20 0.37
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CA7 P43166 4/20 0.37
CA9 Q16790 4/20 0.37
CA14 Q9ULX7 4/20 0.37
ALOX15 P16050 1/20 0.37
PDK2 Q15119 1/20 0.36
PDK4 Q16654 1/20 0.36
ALDH1A1 P00352 3/20 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
SCHEMBL20146043 0.73 CA1 (0.44) HPGDKDM4ECA12CA1CA2
SCHEMBL3536306 0.73 ABCG2 (0.51) HPGDSMN1; SMN2NPC1CYP1A2CYP2D6
SCHEMBL2478781 0.72 NLRP3 (0.46) HPGDSMN1; SMN2NPC1CYP1A2CYP2D6
SCHEMBL17494284 0.71 YAP1 (0.40) HPGDCYP1A2CYP2C19KDM4ECA12
SCHEMBL25606874 0.71 CA1 (0.46) HPGDSMN1; SMN2KDM4ECA12CA1
SCHEMBL2474712 0.70 ALDH1A1 (0.58) HPGDSMN1; SMN2NPC1CYP1A2CYP2D6
SCHEMBL5501186 0.70 KDM4E (0.47) HPGDSMN1; SMN2NPC1CYP1A2CYP2D6
SCHEMBL23096010 0.70 CA1 (0.39) HPGDSMN1; SMN2KDM4ECA12CA1
SCHEMBL16035010 0.69 SOS1 (0.44) HPGDSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL2472606 0.69 KDM4E (0.46) HPGDCYP1A2CYP2C9CYP2C19KDM4E

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-7749992-B2 Compounds and methods for treating dislipidemia ELI LILLY AND COMPANY (US) 2010-07-06 US disclosed
EP-1670768-B1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA LILLY CO ELI (US) 2009-09-09 EP disclosed
EP-2098512-A1 Compounds and methods for treating dyslipidemia Eli Lilly & Company (US) 2009-09-09 EP disclosed
US-20070254869-A1 Compounds And Methods For Treating Dislipidemia ELI LILLY AND COMPANY (US) 2007-11-01 US disclosed
EP-1670768-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2006-06-21 EP disclosed
WO-2005037796-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2005-04-28 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-20070254869-A1 Compounds And Methods For Treating Dislipidemia APOB, CETP, PCSK9 HPGD 3540/4885SMN1; SMN2 2770/4885NPC1 7/4885

“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.