SCHEMBL2908923

SCHEMBL2908923

O=C(O)/C(O)=C\c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPFFR1 Q9GZQ6 2/20 0.49
NPFFR2 Q9Y5X5 2/20 0.49
KDR P35968 2/20 0.47
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
PDK1 Q15118 1/20 0.43
NOTUM Q6P988 4/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
CFTR P13569 1/20 0.40
CCR2 P41597 2/20 0.40
GRM4 Q14833 1/20 0.39
SLC22A12 Q96S37 1/20 0.38
TRPV1 Q8NER1 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
SCHEMBL4800123 1.00 NPFFR1 (0.49) NPFFR1NPFFR2KDRHDAC1HDAC8
SCHEMBL4800117 1.00 NPFFR1 (0.49) NPFFR1NPFFR2KDRHDAC1HDAC8
SCHEMBL8997535 0.82 NPFFR2 (0.45) NPFFR1NPFFR2KDRHDAC1HDAC8
SCHEMBL8997541 0.82 NPFFR2 (0.45) NPFFR1NPFFR2KDRHDAC1HDAC8
SCHEMBL4802326 0.79 KDR (0.44) NPFFR1NPFFR2KDRHDAC1HDAC8
SCHEMBL4802319 0.79 KDR (0.44) NPFFR1NPFFR2KDRHDAC1HDAC8
SCHEMBL2907979 0.79 KDR (0.44) NPFFR1NPFFR2KDRHDAC1HDAC8
SCHEMBL1462597 0.78 ADRB2 (0.37) NPFFR1NPFFR2KDRPDK1
SCHEMBL1462595 0.78 ADRB2 (0.37) NPFFR1NPFFR2KDRPDK1
SCHEMBL1462598 0.78 ADRB2 (0.37) NPFFR1NPFFR2KDRPDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1737842-B1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCING THE SAME AND THE USE THEREOF AS DRUGS BOEHRINGER INGELHEIM INT (DE) 2010-08-18 EP disclosed
US-7439237-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-21 US disclosed
US-20070238715-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 US disclosed
US-20050282857-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-22 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-20070238715-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA NPFFR1 127/4885NPFFR2 165/4885KDR 1113/4885
US-20050282857-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA NPFFR1 127/4885NPFFR2 165/4885KDR 1113/4885

“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.