SCHEMBL4590256

SCHEMBL4590256

CN(CC(=O)O)C(=O)CCS

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MVD P53602 1/20 0.41
ACE P12821 2/20 0.39
PHF8 Q9UPP1 2/20 0.37
KDM2A Q9Y2K7 2/20 0.37
FOLH1 Q04609 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
EYA2 O00167 1/20 0.33
APP P05067 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4A O75164 5/20 0.32
KDM4C Q9H3R0 5/20 0.32
KDM5A P29375 1/20 0.32
KDM7A Q6ZMT4 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL6228115 0.79 FFAR3 (0.48) MVDPHF8KDM2ANPC1RAB9A
SCHEMBL2804753 0.79 EPHX2 (0.46) MVDPHF8KDM2ATDP1KDM4A
SCHEMBL10256732 0.78 MVD (0.44) MVDACEPHF8KDM2AEYA2
SCHEMBL29434566 0.77 SLC22A6 (0.50) MVDPHF8KDM2AKDM4AKDM4C
SCHEMBL28427604 0.77 PHF8 (0.41) MVDACEPHF8KDM2ANPC1
SCHEMBL11737268 0.77 MVD (0.41) MVDACEPHF8KDM2ANPC1
SCHEMBL4589551 0.77 TSHR (0.43) KDM5AKMT2A
SCHEMBL18666669 0.76 ACE (0.42) ACEPHF8KDM2AFOLH1EYA2
SCHEMBL31305127 0.76 FFAR3 (0.44) MVDPHF8KDM2ANPC1RAB9A
SCHEMBL6936379 0.76 ALDH1A1 (0.58) APPTDP1KDM4CKDM5AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080166362-A1 New effector conjugates, process for their production and their pharmaceutical use BERGER MARKUS 2008-07-10 US disclosed
US-7335775-B2 Effector conjugates, process for their production and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2008-02-26 US disclosed
US-20070088060-A1 New effector conjugates, process for their production and their pharmaceutical use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-04-19 US disclosed
US-7129254-B2 Effector conjugates, process for their production and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2006-10-31 US disclosed
EP-1524979-A2 NEW EFFECTOR CONJUGATES, PROCESS FOR THEIR PRODUCTION AND THEIR PHARMACEUTICAL USE Schering AG (DE) 2005-04-27 EP disclosed
US-20050026971-A1 New effector conjugates, process for their production and their pharmaceutical use SCHERING AG (DE) 2005-02-03 US disclosed
WO-2004012735-A2 NEW EFFECTOR CONJUGATES, PROCESS FOR THEIR PRODUCTION AND THEIR PHARMACEUTICAL USE SCHERING AG (DE) 2004-02-12 WO disclosed
US-4775662-A ASTHMA TREATMENT, ANTIALLERGENS, BRONCHODILATOR AGENTS SMITHKLINE BECKMAN CORPORATION (US) 1988-10-04 US disclosed
EP-0121350-B1 SUBSTITUTED UNSATURATED MERCAPTOCARBOXYLIC ACIDS AND DERIVATIVES AS LEUKOTRIENE ANTAGONISTS SMITHKLINE BECKMAN CORPORATION (US) 1987-05-13 EP disclosed
EP-0121350-A2 Substituted unsaturated mercaptocarboxylic acids and derivatives as leukotriene antagonists SMITHKLINE BECKMAN CORPORATION (US) 1984-10-10 EP disclosed
US-4339600-A ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1982-07-13 US disclosed
US-4199512-A Compounds for alleviating hypertension E. R. SQUIBB & SONS, INC. (US) 1980-04-22 US disclosed
US-4173704-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1979-11-06 US disclosed
US-4140786-A ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1979-02-20 US disclosed
US-4140797-A MERCAPTOACYL AMINO ACIDS, ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1979-02-20 US disclosed
US-4112119-A MERCAPTOACYL AMINOACIDS E. R. SQUIBB & SONS, INC. (US) 1978-09-05 US disclosed
US-4053651-A MERCAPTOACYL AMINO ACIDS, ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1977-10-11 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-20080166362-A1 New effector conjugates, process for their production and their pharmaceutical use EPOR, TIE1, TEK MVD 15/4885ACE 3422/4885PHF8 3130/4885
US-20050026971-A1 New effector conjugates, process for their production and their pharmaceutical use EPOR, TIE1, TEK MVD 15/4885ACE 3422/4885PHF8 3130/4885
US-20070088060-A1 New effector conjugates, process for their production and their pharmaceutical use EPOR, TIE1, TEK MVD 15/4885ACE 3422/4885PHF8 3130/4885

“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.