SCHEMBL2707951

SCHEMBL2707951

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
SCHEMBL1198461 1.00 NPSR1 (0.44) NPSR1TPSAB1TPSD1TPSG1L3MBTL1
SCHEMBL13225608 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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556119-B2 Process for preparing desmosine, isodesmosine, and derivatives thereof SOPHIA SCHOOL CORPORATION (JP) 2017-01-31 US disclosed
US-20150376127-A1 PROCESS FOR PREPARING DESMOSINE, ISODESMOSINE, AND DERIVATIVES THEREOF SOPHIA SCHOOL CORPORATION (JP) 2015-12-31 US disclosed
US-8906887-B2 C7-fluoro substituted tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2014-12-09 US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 US disclosed
US-7745427-B2 CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2010-06-29 US disclosed
US-7732438-B2 CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2010-06-08 US disclosed
US-20100113419-A1 CGRP RECEPTOR ANTAGONISTS BURGEY CHRISTOPHER S 2010-05-06 US disclosed
US-20100105671-A1 C7-fluoro substituted tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. 2010-04-29 US disclosed
US-20100093811-A1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-04-15 US disclosed
US-7534784-B2 ligands for Calcitonin gene related peptide; azepinone ligands; migranes; N-[5-(2,3-Difluorophenyl)-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide MERCK + CO., INC. (US) 2009-05-19 US disclosed
US-7452903-B2 CGRP receptor antagonists MERCK & CO., INC. (US) 2008-11-18 US disclosed
US-20080280857-A1 CGRP receptor antagonists MERCK SHARP & DOHME LLC 2008-11-13 US disclosed
US-7390798-B2 Carboxamide spirolactam CGRP receptor antagonists MERCK & CO., INC. (US) 2008-06-24 US disclosed
US-20080113966-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-05-15 US disclosed
US-20080090806-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-04-17 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 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-20100093811-A1 HIV PROTEASE INHIBITORS PRSS1, FURIN, SERPINB1 NPSR1 1140/4885TPSAB1 110/4885TPSD1 393/4885
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-20080113966-A1 Cgrp Receptor Antagonists BDKRB1, BDKRB2, CCKBR NPSR1 57/4885TPSAB1 142/4885TPSD1 225/4885
US-20100105671-A1 C7-fluoro substituted tetracycline compounds F7, TUBA1C, TUBA4A NPSR1 4173/4885TPSAB1 2613/4885TPSD1 2915/4885
US-20150376127-A1 PROCESS FOR PREPARING DESMOSINE, ISODESMOSINE, AND DERIVATIVES THEREOF SI, SMS, SRM NPSR1 741/4885TPSAB1 566/4885TPSD1 280/4885
US-20070225272-A1 CGRP receptor antagonists CCKBR, BDKRB1, BDKRB2 NPSR1 60/4885TPSAB1 151/4885TPSD1 285/4885
US-20100113419-A1 CGRP RECEPTOR ANTAGONISTS BDKRB1, CCKBR, BDKRB2 NPSR1 46/4885TPSAB1 123/4885TPSD1 274/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NPSR1 4462/4885TPSAB1 4100/4885TPSD1 4219/4885
US-20070287697-A1 Cgrp Receptor Antagonists BDKRB1, BDKRB2, CCKBR NPSR1 47/4885TPSAB1 127/4885TPSD1 340/4885
US-20080280857-A1 CGRP receptor antagonists CCKBR, BDKRB1, BDKRB2 NPSR1 60/4885TPSAB1 151/4885TPSD1 285/4885

“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.