SCHEMBL3351533

SCHEMBL3351533

Cc1cc(C[C@@H](O)C(=O)O)cc2oc(=O)n(C)c12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.47
KDM6B O15054 1/20 0.36
KMO O15229 3/20 0.34
ALDH1A1 P00352 3/20 0.33
POLB P06746 2/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 3/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 2/20 0.31
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL3351541 1.00 ACACB (0.47) ACACBKDM6BKMOALDH1A1POLB
SCHEMBL4501882 0.86 ACACB (0.47) ACACBALDH1A1POLBHPGDSMN1; SMN2
SCHEMBL3352484 0.78 ACACB (0.43) ACACBKMOALDH1A1POLBHPGD
SCHEMBL4501888 0.75 ACACB (0.41) ACACBKMOALDH1A1HPGDSMN1; SMN2
SCHEMBL4501885 0.74 ACACB (0.42) ACACBKMOALDH1A1HPGDKMT2A
SCHEMBL3353814 0.72 KDM6B (0.37) KDM6BALDH1A1KDM4E
SCHEMBL3353809 0.72 KDM6B (0.37) KDM6BALDH1A1KDM4E
SCHEMBL16435008 0.71 ACACB (0.43) ACACBALDH1A1POLBHPGDTP53
SCHEMBL10024350 0.70 KDM6B (0.53) KDM6BPOLBMAPTKMT2AKDM4E
SCHEMBL13907747 0.69 KMO (0.42) ACACBKMOALDH1A1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144716-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-10 US disclosed
US-7696209-B2 CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-13 US disclosed
US-7696195-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-13 US disclosed
US-20090186881-A1 CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-23 US disclosed
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
EP-1863799-A1 CGRP-ANTAGONISTS, PROCESS FOR THEIR PREPARATION AS WELL AS THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2007-12-12 EP disclosed
EP-1770091-A1 CGRP-antagonists, process for their preparation as well as their use as medicaments Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2007-04-04 EP 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
WO-2006100009-A1 CGRP ANTAGONISTS, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-09-28 WO disclosed
US-20050256099-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-17 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 (4 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-20090186881-A1 CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA ACACB 4874/4885KDM6B 4799/4885KMO 2610/4885
US-20060252931-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA ACACB 4862/4885KDM6B 4822/4885KMO 3018/4885
US-20100144716-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA ACACB 4862/4885KDM6B 4822/4885KMO 3018/4885
US-20050256099-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA ACACB 4836/4885KDM6B 4699/4885KMO 2765/4885

“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.