Sugi Predict

Sugi Predict / Compounds / SCHEMBL2486462

SCHEMBL2486462

SCHEMBL2486462

CCCC(=O)ON1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.41
▸ GNAI3 P08754 5/20 0.39
▸ GNAO1 P09471 5/20 0.39
▸ GNAI1 P63096 5/20 0.39
▸ SIGMAR1 Q99720 2/20 0.38
▸ HRH2 P25021 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ FAAH O00519 1/20 0.33
▸ NAAA Q02083 1/20 0.33
▸ CHRM5 P08912 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ CA2 P00918 2/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ CHKA P35790 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CES2 O00748 1/20 0.31
▸ CES1 P23141 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
SCHEMBL27616457 0.98 ALDH1A1 (0.40) ALDH1A1GNAI3GNAO1GNAI1SIGMAR1
SCHEMBL27635557 0.90 ALDH1A1 (0.34) ALDH1A1GNAI3GNAO1GNAI1SIGMAR1
SCHEMBL5874088 0.89 GNAI3 (0.44) GNAI3GNAO1GNAI1SIGMAR1HRH2
SCHEMBL5008157 0.88 CA2 (0.37) GNAI3GNAO1GNAI1SIGMAR1CHRM5
SCHEMBL5874316 0.87 GNAI3 (0.50) GNAI3GNAO1GNAI1SIGMAR1HRH2
SCHEMBL5874516 0.86 GNAI3 (0.53) GNAI3GNAO1GNAI1SIGMAR1HRH2
SCHEMBL5874398 0.86 GNAI3 (0.53) GNAI3GNAO1GNAI1SIGMAR1HRH2
SCHEMBL5874232 0.86 GNAI3 (0.53) GNAI3GNAO1GNAI1SIGMAR1HRH2
SCHEMBL5875251 0.86 GNAI3 (0.53) GNAI3GNAO1GNAI1SIGMAR1HRH2
SCHEMBL5875013 0.86 GNAI3 (0.53) GNAI3GNAO1GNAI1SIGMAR1HRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379118-B1 NANOPARTICLE CONTRAST AGENTS FOR DIAGNOSTIC IMAGING GEN ELECTRIC (US) 2017-10-18 — — EP disclosed
US-9585974-B2 Nanoparticle contrast agents for diagnostic imaging GENERAL ELECTRIC COMPANY (US) 2017-03-07 — — US disclosed
US-20160296641-A1 NANOPARTICLE CONTRAST AGENTS FOR DIAGNOSTIC IMAGING GE HEALTHCARE LIMITED (GB) 2016-10-13 — — US disclosed
US-9399075-B2 Nanoparticle contrast agents for diagnostic imaging GENERAL ELECTRIC COMPANY (US) 2016-07-26 — — US disclosed
US-20140147387-A1 NANOPARTICLE CONTRAST AGENTS FOR DIAGNOSTIC IMAGING GENERAL ELECTRIC COMPANY (US) 2014-05-29 — — US disclosed
US-8728529-B2 Nanoparticle contrast agents for diagnostic imaging GENERAL ELECTRIC COMPANY (US) 2014-05-20 — — US disclosed
EP-2667848-A1 CARRIERS FOR THE LOCAL RELEASE OF HYDROPHILIC PRODRUGS Koninklijke Philips N.V. (NL) 2013-12-04 — — EP disclosed
US-8574549-B2 Nanoparticle contrast agents for diagnostic imaging GENERAL ELECTRIC COMPANY (US) 2013-11-05 — — US disclosed
WO-2012101587-A1 CARRIERS FOR THE LOCAL RELEASE OF HYDROPHILIC PRODRUGS KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2012-08-02 — — WO disclosed
EP-2379118-A2 NANOPARTICLE CONTRAST AGENTS FOR DIAGNOSTIC IMAGING General Electric Company (US) 2011-10-26 — — EP disclosed
CN-1483024-A Vla-4 inhibitors ��һ��������ҩ��ʽ���� 2004-03-17 — — CN disclosed
CN-1439049-A Hepatocyte lineage cells derived from pluripotent stem cells GERON CORP (US) 2003-08-27 — — CN disclosed
US-20030091838-A1 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2003-05-15 — — US disclosed
US-20030078249-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-24 — — US disclosed
CN-1391473-A VLA-4 inhibitor compounds DAIICHI SEIYAKU CO (JP) 2003-01-15 — — CN disclosed
EP-1189612-A1 VLA-4 INHIBITOR COMPOUNDS Daiichi Pharmaceutical Co., Ltd. (JP) 2002-03-27 — — EP disclosed
WO-2001000206-A1 VLA-4 INHIBITOR COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-01-04 — — WO disclosed
US-5215974-A Antisecretory agents for gastrointestinal disorders; water solubility, chemical stability AKTIEBOLAGET HASSLE (SE) 1993-06-01 — — US disclosed
EP-0332647-A1 NEW BENZIMIDAZOLE DERIVATIVES A PROCESS FOR PRODUCTION THEREOF AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Aktiebolaget Hässle (SE) 1989-09-20 — — EP disclosed
WO-1988003921-A1 NEW BENZIMIDAZOLE DERIVATIVES A PROCESS FOR PRODUCTION THEREOF AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Aktiebolaget Hässle (SE) 1988-06-02 — — WO 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-20030078249-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGA4 ALDH1A1 146/4885GNAI3 395/4885GNAO1 1767/4885
US-20160296641-A1 NANOPARTICLE CONTRAST AGENTS FOR DIAGNOSTIC IMAGING CD47, CD63, MACO1 ALDH1A1 1235/4885GNAI3 1864/4885GNAO1 944/4885
US-20140147387-A1 NANOPARTICLE CONTRAST AGENTS FOR DIAGNOSTIC IMAGING CD47, CD63, MACO1 ALDH1A1 1235/4885GNAI3 1864/4885GNAO1 944/4885

“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.