SCHEMBL838145

SCHEMBL838145

N#Cc1ccc(C(=O)O)c(C(=O)O)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALOX15 P16050 2/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
BLM P54132 1/20 0.41
AGER Q15109 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CAMKK2 Q96RR4 2/20 0.40
CYP1A2 P05177 1/20 0.38
SOS2 Q07890 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
XDH P47989 5/20 0.35
SLC22A12 Q96S37 5/20 0.35
ASPH Q12797 1/20 0.35
KDM8 Q8N371 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35

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
SCHEMBL31253334 0.81 SOS2 (0.41) ALDH1A1TSHRCAMKK2CYP1A2SOS2
SCHEMBL25010840 0.81 MEN1 (0.42) ALDH1A1MAPTTSHRSOS2SMN1; SMN2
SCHEMBL31324958 0.81 SOS2 (0.41) ALDH1A1TSHRCAMKK2CYP1A2SOS2
SCHEMBL15310084 0.79 PIN1 (0.38) ALDH1A1MAPTKDM4EALOX15CAMKK2
SCHEMBL2160647 0.79 MAP2K3 (0.38) ALDH1A1MAPTKDM4EBLML3MBTL1
SCHEMBL17712927 0.79 GABRP (0.55) ALDH1A1KDM4ECYP3A4CAMKK2CYP1A2
SCHEMBL20599509 0.79 SMN1; SMN2 (0.43) ALDH1A1KDM4ETSHRCAMKK2CYP1A2
SCHEMBL25585924 0.79 NAPRT (0.43) KDM4ECAMKK2CYP1A2SOS2XDH
SCHEMBL3376112 0.75 GABRP (0.58) ALDH1A1KDM4ETSHRCAMKK2CYP1A2
SCHEMBL24679262 0.75 CAMKK2 (0.45) ALDH1A1MAPTKDM4ECAMKK2SOS2

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029575-B1 SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-10-22 EP disclosed
US-8765759-B2 Monocyclic CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-07-01 US disclosed
EP-2271346-B1 MONOCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-01-01 EP disclosed
EP-2146572-B1 BICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-11-20 EP disclosed
EP-2134342-B1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-01-30 EP disclosed
EP-2458991-A1 RADIOLABELED CGRP ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2012-06-06 EP disclosed
US-20120121508-A1 RADIOLABELED CGRP ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-05-17 US disclosed
US-8173655-B2 Bicyclic anilide heterocyclic CGRP receptor antagonists Merck, Sharp & Dohme Corp. (US) 2012-05-08 US disclosed
US-8148390-B2 Monocyclic anilide spirolactam CGRP receptor antagonists Merck, Sharp & Dohme, Corp. (US) 2012-04-03 US disclosed
US-8143266-B2 Aryl heterocyclic CGRP receptor antagonists Merck, Sharp & Dohme Corp (US) 2012-03-27 US disclosed
WO-2009120652-A2 MONOCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2009-10-01 WO disclosed
EP-2029575-A1 SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2009-03-04 EP disclosed
EP-2024358-A1 SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2009-02-18 EP disclosed
US-20080318927-A1 Substituted monocyclic CGRP receptor antagonists MERCK SHARP & DOHME LLC 2008-12-25 US disclosed
WO-2008130512-A1 BICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-10-30 WO disclosed
WO-2008130524-A1 ARYL HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-10-30 WO disclosed
WO-2008112159-A2 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-09-18 WO disclosed
WO-2008020902-A1 SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-02-21 WO disclosed
WO-2007133491-A1 SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-11-22 WO disclosed
US-20070265225-A1 Substituted monocyclic CGRP receptor antagonists MERCK SHARP & DOHME LLC 2007-11-15 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 (3 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-20120121508-A1 RADIOLABELED CGRP ANTAGONISTS CALCRL, CALCR, GRPR ALDH1A1 2097/4885MAPT 3832/4885KDM4E 4362/4885
US-20080318927-A1 Substituted monocyclic CGRP receptor antagonists EDNRB, CALCRL, QRFPR ALDH1A1 1839/4885MAPT 3182/4885KDM4E 1761/4885
US-20070265225-A1 Substituted monocyclic CGRP receptor antagonists QRFPR, CALCRL, EDNRB ALDH1A1 1847/4885MAPT 3188/4885KDM4E 1758/4885

“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.