SCHEMBL2879129

SCHEMBL2879129

CC(CO)c1ccc(Br)cc1F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APLNR P35414 4/20 0.44
DGAT1 O75907 1/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
ACACB O00763 1/20 0.36
FPR2 P25090 1/20 0.36
ACE2 Q9BYF1 2/20 0.36
PDE2A O00408 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TRPA1 O75762 1/20 0.34
PYCR1 P32322 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL12267174 1.00 APLNR (0.44) APLNRDGAT1MMP1MMP2MMP3
SCHEMBL15092400 1.00 APLNR (0.44) APLNRDGAT1MMP1MMP2MMP3
SCHEMBL21096068 0.85 PSEN1 (0.35) APLNRDGAT1MMP1MMP2MMP3
SCHEMBL26161883 0.83 APLNR (0.45) APLNRDGAT1ACACBFPR2PDE2A
SCHEMBL8242532 0.83 APLNR (0.45) APLNRDGAT1ACACBFPR2PDE2A
SCHEMBL29784759 0.81 APLNR (0.48) APLNRDGAT1PDE2A
SCHEMBL18839718 0.81 APLNR (0.48) APLNRDGAT1PDE2A
SCHEMBL12332374 0.81 TRPA1 (0.44) ACE2PDE2ATRPA1ALDH1A1
SCHEMBL8243599 0.80 APLNR (0.43) APLNRDGAT1MMP1MMP2MMP3
SCHEMBL16070599 0.79 PDE2A (0.41) APLNRDGAT1PDE2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9453025-B2 Tricyclic compounds and PBK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2016-09-27 US disclosed
EP-2552206-B1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE INC (JP) 2015-07-22 EP disclosed
US-20150183799-A1 Tricyclic Compounds and PBK Inhibitors Containing the Same ONCOTHERAPY SCIENCE INC (JP) 2015-07-02 US disclosed
US-8962648-B2 Tricyclic compounds and PBK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2015-02-24 US disclosed
US-20130178459-A1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2013-07-11 US disclosed
US-20100216758-A1 Pyridone Compounds MSD K.K. (JP) 2010-08-26 US disclosed
EP-1916239-A1 PYRIDONE COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-30 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 (3 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-20100216758-A1 Pyridone Compounds NPY1R, MC5R, MC1R APLNR 1318/4885DGAT1 4635/4885MMP1 3717/4885
US-20130178459-A1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME PBDC1, SBK1, PLK2 APLNR 4331/4885DGAT1 3437/4885MMP1 4437/4885
US-20150183799-A1 Tricyclic Compounds and PBK Inhibitors Containing the Same PBDC1, SBK1, PLK2 APLNR 4331/4885DGAT1 3437/4885MMP1 4437/4885

“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.