SCHEMBL4795847

SCHEMBL4795847

O=C(O)C(O)Cc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.53
PPARA Q07869 1/20 0.53
KDM6B O15054 1/20 0.51
IDO1 P14902 2/20 0.49
KDR P35968 1/20 0.49
PDK1 Q15118 1/20 0.44
ABCB11 O95342 1/20 0.44
FAAH O00519 1/20 0.44
MMP7 P09237 1/20 0.44
CASR P41180 1/20 0.43
KDM4A O75164 1/20 0.43
KDM5A P29375 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
TMPRSS4 Q9NRS4 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
PYCR1 P32322 1/20 0.42

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
SCHEMBL2908984 1.00 PPARG (0.53) PPARGPPARAKDM6BIDO1KDR
SCHEMBL4438009 0.88 PPARG (0.56) PPARGPPARAIDO1KDRPDK1
SCHEMBL9901109 0.84 SLC7A5 (0.53) PPARGPPARAIDO1KDRPDK1
SCHEMBL2931595 0.83 KDM4E (0.49) PPARGPPARAIDO1KDRPDK1
SCHEMBL2164417 0.80 KDM6B (0.61) PPARGPPARAKDM6BIDO1
SCHEMBL2164411 0.80 KDM6B (0.61) PPARGPPARAKDM6BIDO1
SCHEMBL1206717 0.79 ADRB2 (0.41) PPARGPPARAKDM6BIDO1
SCHEMBL10330731 0.79 PPARG (0.40) PPARGPPARAKDM6BMMP7TMPRSS4
SCHEMBL1206720 0.79 ADRB2 (0.41) PPARGPPARAKDM6BIDO1
SCHEMBL5241165 0.78 IDO1 (0.48) PPARGPPARAIDO1KDRPDK1

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-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 PPARG 2708/4885PPARA 3045/4885KDM6B 4819/4885
US-20050282857-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA PPARG 2708/4885PPARA 3045/4885KDM6B 4819/4885

“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.