Sugi Predict

Sugi Predict / Compounds / SCHEMBL1198461

SCHEMBL1198461

SCHEMBL1198461

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)[C@H](CCC=O)C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.44
▸ TPSAB1 Q15661 2/20 0.42
▸ TPSD1 Q9BZJ3 2/20 0.42
▸ TPSG1 Q9NRR2 2/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ SYK P43405 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ PPARA Q07869 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ ITGA4 P13612 1/20 0.38
▸ ITGB7 P26010 1/20 0.38
▸ LTA4H P09960 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CTSB P07858 1/20 0.37
▸ CTSS P25774 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ NCOR2 Q9Y618 1/20 0.36

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
SCHEMBL13225608 1.00 NPSR1 (0.44) NPSR1TPSAB1TPSD1TPSG1L3MBTL1
SCHEMBL2707951 1.00 NPSR1 (0.44) NPSR1TPSAB1TPSD1TPSG1L3MBTL1
SCHEMBL5970440 0.93 TPSAB1 (0.44) NPSR1TPSAB1TPSD1TPSG1L3MBTL1
SCHEMBL17369157 0.89 NPSR1 (0.45) NPSR1TPSAB1TPSD1TPSG1L3MBTL1
SCHEMBL12257304 0.88 TPSAB1 (0.40) NPSR1TPSAB1TPSD1TPSG1L3MBTL1
SCHEMBL17369164 0.86 SYK (0.46) NPSR1TPSAB1TPSD1TPSG1L3MBTL1
SCHEMBL14744316 0.86 TPSAB1 (0.43) NPSR1TPSAB1TPSD1TPSG1L3MBTL1
SCHEMBL14743381 0.85 TPSAB1 (0.43) NPSR1TPSAB1TPSD1TPSG1L3MBTL1
SCHEMBL23760112 0.84 TPSAB1 (0.46) NPSR1TPSAB1TPSD1TPSG1L3MBTL1
SCHEMBL12873853 0.84 L3MBTL1 (0.44) NPSR1TPSAB1TPSD1TPSG1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3002281-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-09-13 — — EP disclosed
EP-3002281-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2016-04-06 — — EP disclosed
US-8993588-B2 Carboxamide heterocyclic CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-03-31 — — US disclosed
US-8993588-B2 Carboxamide heterocyclic CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-03-31 — — US disclosed
EP-2039694-B1 CGRP receptor antagonists MERCK SHARP & DOHME (US) 2014-03-26 — — EP disclosed
EP-2039694-B1 CGRP receptor antagonists MERCK SHARP & DOHME (US) 2014-03-26 — — EP disclosed
EP-1799672-B1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-01-02 — — EP disclosed
US-8039460-B2 CGRP (Calcitonin Gene-Related Peptide); migraine and cluster headache; compounds based on 6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine or 6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine MERCK SHARP & DOHME CORP. (US) 2011-10-18 — — US disclosed
US-8039460-B2 CGRP (Calcitonin Gene-Related Peptide); migraine and cluster headache; compounds based on 6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine or 6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine MERCK SHARP & DOHME CORP. (US) 2011-10-18 — — US disclosed
US-8039460-B2 CGRP (Calcitonin Gene-Related Peptide); migraine and cluster headache; compounds based on 6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine or 6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine MERCK SHARP & DOHME CORP. (US) 2011-10-18 — — US disclosed
US-20080090806-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-04-17 — — US disclosed
US-20080070899-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-03-20 — — US disclosed
US-20080070899-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-03-20 — — US disclosed
US-20070293470-A1 Carboxamide Spirolactam Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2007-12-20 — — US disclosed
US-20070287697-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2007-12-13 — — US disclosed
US-20070225272-A1 CGRP receptor antagonists MERCK SHARP & DOHME LLC 2007-09-27 — — US disclosed
US-7235545-B2 CGRP receptor antagonists MERCK & CO., INC. (US) 2007-06-26 — — US disclosed
US-20050256098-A1 CGRP receptor antagonists MERCK SHARP & DOHME LLC 2005-11-17 — — US disclosed
US-6953790-B2 CGRP receptor antagonists MERCK & CO., INC. (US) 2005-10-11 — — US disclosed
US-20040229861-A1 CGRP receptor antagonists MERCK SHARP & DOHME LLC 2004-11-18 — — 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 (7 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-20080070899-A1 Cgrp Receptor Antagonists BDKRB1, CCKBR, CALCRL NPSR1 47/4885TPSAB1 130/4885TPSD1 258/4885
US-20070293470-A1 Carboxamide Spirolactam Cgrp Receptor Antagonists BDKRB1, CALCRL, BDKRB2 NPSR1 133/4885TPSAB1 153/4885TPSD1 576/4885
US-20080090806-A1 Cgrp Receptor Antagonists CCKBR, BDKRB1, BDKRB2 NPSR1 63/4885TPSAB1 117/4885TPSD1 242/4885
US-20040229861-A1 CGRP receptor antagonists CCKBR, CCKAR, CALCRL NPSR1 81/4885TPSAB1 108/4885TPSD1 246/4885
US-20050256098-A1 CGRP receptor antagonists CCKBR, BDKRB1, BDKRB2 NPSR1 60/4885TPSAB1 151/4885TPSD1 285/4885
US-20070225272-A1 CGRP receptor antagonists CCKBR, BDKRB1, BDKRB2 NPSR1 60/4885TPSAB1 151/4885TPSD1 285/4885
US-20070287697-A1 Cgrp Receptor Antagonists BDKRB1, BDKRB2, CCKBR NPSR1 47/4885TPSAB1 127/4885TPSD1 340/4885

“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.