SCHEMBL3538520

SCHEMBL3538520

O=C1CCCN(C(=O)O)c2cc(Br)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.42
SRD5A2 P31213 1/20 0.42
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
RAB9A P51151 3/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
MAPT P10636 4/20 0.37
HTT P42858 2/20 0.37
AVPR2 P30518 1/20 0.36
AVPR1A P37288 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL28798816 0.92 LMNA (0.45) SRD5A1SRD5A2MEN1KMT2ARAB9A
SCHEMBL2480162 0.88 PDK1 (0.46) SRD5A1SRD5A2PDK1PDK2PDK3
SCHEMBL27957042 0.81 MEN1 (0.51) PDK1PDK2PDK3PDK4MEN1
SCHEMBL23705411 0.80 LMNA (0.45) SRD5A1SRD5A2PDK1PDK2PDK3
SCHEMBL3530779 0.80 ABHD6 (0.44) SRD5A1SRD5A2PDK1PDK2PDK3
SCHEMBL3531912 0.80 BRD4 (0.43) PDK1PDK2PDK3PDK4KDM4E
SCHEMBL28498038 0.78 PDK1 (0.61) SRD5A1SRD5A2PDK1PDK2PDK3
SCHEMBL17494980 0.74 XIAP (0.51) MEN1KMT2ARAB9ALMNAMAPT
SCHEMBL68600 0.73 NOTUM (0.60) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL29829118 0.72 ABHD6 (0.42) SRD5A1MEN1KMT2ANPSR1

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-2098512-A1 Compounds and methods for treating dyslipidemia Eli Lilly & Company (US) 2009-09-09 EP disclosed
EP-1670768-B1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA LILLY CO ELI (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 SRD5A1 808/4885SRD5A2 899/4885PDK1 3777/4885

“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.