SCHEMBL3311082

SCHEMBL3311082

COC(=O)/C(=C/c1ccc(Cl)c(C(F)(F)F)c1)CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPFFR1 Q9GZQ6 2/20 0.43
NPFFR2 Q9Y5X5 2/20 0.43
KDR P35968 2/20 0.42
NOTUM Q6P988 2/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 3/20 0.40
GAA P10253 2/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
KDM4E B2RXH2 1/20 0.39
RAB9A P51151 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
PDK1 Q15118 1/20 0.39
APP P05067 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL3522892 0.84 APP (0.35) MAPTMEN1HTTKMT2AAPP
SCHEMBL3310234 0.81 RECQL (0.37) NOTUMMAPTMEN1KMT2APPARG
SCHEMBL8120081 0.80 NPFFR1 (0.45) NPFFR1NPFFR2KDRNOTUMMAPT
SCHEMBL8034221 0.80 NPFFR1 (0.45) NPFFR1NPFFR2KDRNOTUMMAPT
SCHEMBL3959782 0.77 RECQL (0.46) MAPTMEN1HTTKMT2ALMNA
SCHEMBL3959783 0.77 RECQL (0.46) MAPTMEN1HTTKMT2ALMNA
SCHEMBL3314098 0.77 MAPT (0.40) NOTUMMAPTAPPRECQL
SCHEMBL2171291 0.74 MEN1 (0.50) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL2171297 0.74 MEN1 (0.50) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL4800117 0.74 NPFFR1 (0.49) NPFFR1NPFFR2KDRNOTUMHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113411-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-05-06 US disclosed
US-7595312-B2 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-09-29 US disclosed
US-20060079504-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2006-04-13 US 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-20100113411-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA NPFFR1 122/4885NPFFR2 130/4885KDR 708/4885
US-20060079504-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA NPFFR1 122/4885NPFFR2 130/4885KDR 708/4885

“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.