SCHEMBL4510897

SCHEMBL4510897

COC(=O)C(CC(=O)O)Cc1cc(Cl)c(N)c(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
CPA1 P15085 2/20 0.33
THRB P10828 2/20 0.33
CPB2 Q96IY4 2/20 0.33
THRA P10827 1/20 0.33
FOLH1 Q04609 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CPB1 P15086 1/20 0.33
CPA3 P15088 1/20 0.33

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
SCHEMBL4510891 1.00 POLB (0.37) POLBKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL3517309 0.85 CPA1 (0.47) KMT2AMEN1L3MBTL1GAAMAPT
SCHEMBL3517307 0.85 CPA1 (0.47) KMT2AMEN1L3MBTL1GAAMAPT
SCHEMBL3308130 0.83 ADRB2 (0.42) POLBMAPTFOLH1
SCHEMBL3308134 0.83 ADRB2 (0.42) POLBMAPTFOLH1
SCHEMBL3309683 0.82 ADRB2 (0.43) KMT2AMEN1L3MBTL1ALDH1A1MAPT
SCHEMBL3309680 0.82 ADRB2 (0.43) KMT2AMEN1L3MBTL1ALDH1A1MAPT
SCHEMBL4609155 0.81 POLB (0.41) POLBKMT2ACPA1THRBCPB2
SCHEMBL3960108 0.81 POLB (0.41) POLBKMT2ACPA1THRBCPB2
SCHEMBL4488443 0.77 KMT2A (0.38) KMT2AMEN1L3MBTL1ALDH1A1CPA1

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 POLB 2767/4885KMT2A 4813/4885MEN1 678/4885

“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.