SCHEMBL4501949

SCHEMBL4501949

COC(=O)C(CC(=O)O)Cc1cc(Cl)c(O)c(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
PPARG P37231 4/20 0.35
PPARA Q07869 1/20 0.35
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
EPHX2 P34913 3/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
FFAR1 O14842 1/20 0.32

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
SCHEMBL4501945 1.00 KMT2A (0.36) KMT2AMEN1L3MBTL1ALDH1A1MAPK1
SCHEMBL3309683 0.87 ADRB2 (0.43) KMT2AMEN1L3MBTL1ALDH1A1MAPK1
SCHEMBL3309680 0.87 ADRB2 (0.43) KMT2AMEN1L3MBTL1ALDH1A1MAPK1
SCHEMBL3520214 0.86 CPA1 (0.45) KMT2AMEN1L3MBTL1PPARGPPARA
SCHEMBL3520209 0.86 CPA1 (0.45) KMT2AMEN1L3MBTL1PPARGPPARA
SCHEMBL3311334 0.84 KDM4E (0.46) KMT2AMEN1L3MBTL1ALDH1A1PPARG
SCHEMBL3306655 0.83 FOLH1 (0.37) KMT2APPARGEPHX2
SCHEMBL3306650 0.83 FOLH1 (0.37) KMT2APPARGEPHX2
SCHEMBL4488445 0.83 KMT2A (0.38) KMT2AMEN1L3MBTL1ALDH1A1FFAR1
SCHEMBL4488443 0.83 KMT2A (0.38) KMT2AMEN1L3MBTL1ALDH1A1FFAR1

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-7528129-B2 CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-05 US disclosed
CN-101146799-A Cgrp-antagonists, process for their preparation as well as their use as medicaments BOEHRINGER INGELHEIM INT (DE) 2008-03-19 CN disclosed
US-20060252931-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-09 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 (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-20060252931-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA KMT2A 4813/4885MEN1 678/4885L3MBTL1 4566/4885

“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.