SCHEMBL304728

SCHEMBL304728

CCCN(CCC)C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.48
CA9 Q16790 4/20 0.48
CA2 P00918 3/20 0.48
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 4/20 0.41
HPGD P15428 1/20 0.41
CA1 P00915 4/20 0.40
TP53 P04637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
APP P05067 2/20 0.34
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33

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
SCHEMBL6201216 0.90 CA12 (0.44) CA12CA9CA2TSHRMAPK1
SCHEMBL304950 0.85 CA1 (0.52) CA12CA9CA2ALDH1A1CA1
SCHEMBL5574400 0.84 TSHR (0.50) CA12CA9CA2TSHRMAPK1
SCHEMBL7956550 0.83 CA12 (0.45) CA12CA9CA2CA1CA14
SCHEMBL15359960 0.83 CA12 (0.42) CA12CA9CA2TSHRMAPK1
SCHEMBL24113918 0.82 CA2 (0.35) CA12CA9CA2TSHRMAPK1
SCHEMBL24776728 0.82 ALDH1A1 (0.42) CA12CA9CA2TSHRMAPK1
SCHEMBL25278347 0.81 CA12 (0.47) CA12CA9CA2MAPK1CA1
SCHEMBL25227711 0.81 CA12 (0.47) CA12CA9CA2MAPK1CA1
SCHEMBL25224503 0.81 CA12 (0.47) CA12CA9CA2MAPK1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687490-B2 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2010-03-30 US claimed
EP-1870412-A1 2-THIOETHENYL CARBAPENEM DERIVATIVE MEIJI SEIKA KAISHA LTD. (JP) 2007-12-26 EP claimed
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2007-01-04 US claimed
EP-4446310-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND Asahi Kasei Kabushiki Kaisha (JP) 2024-10-16 EP disclosed
CN-118382612-A Method for producing blocked isocyanate compound and method for producing isocyanate compound 旭化成株式会社 2024-07-23 CN disclosed
EP-4265597-A2 SYNTHESIS OF OMECAMTIV MECARBIL Amgen Inc. (US) 2023-10-25 EP disclosed
WO-2023106377-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND 旭化成株式会社 2023-06-15 WO disclosed
EP-3831822-A1 POLYSUBSTITUTED BENZENE COMPOUND AND PREPARATION METHOD AND USE THEREOF Suzhou Sinovent Pharmaceuticals Co., Ltd. (CN) 2021-06-09 EP disclosed
EP-2853265-B1 Methods for increasing the stabilization of hypoxia inducible factor-1 alpha AERPIO THERAPEUTICS INC (US) 2017-07-26 EP disclosed
US-20170101405-A1 N-SULFONYLATED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE ABBVIE S.Á.R.L. (LU) 2017-04-13 US disclosed
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS MEIJI SEIKA KAISHA (JP) 2016-06-02 US disclosed
US-20100145063-A1 2- thioethenyl substituted carbapenem derivatives MARUYAMA TAKAHISA 2010-06-10 US disclosed
US-7687490-B2 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2010-03-30 US disclosed
EP-1941873-A1 METALLO-BETA-LACTAMASE INHIBITOR MEIJI SEIKA KAISHA LTD. (JP) 2008-07-09 EP disclosed
US-20080090825-A1 Metallo-beta-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2008-04-17 US disclosed
EP-1870412-A1 2-THIOETHENYL CARBAPENEM DERIVATIVE MEIJI SEIKA KAISHA LTD. (JP) 2007-12-26 EP disclosed
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2007-01-04 US disclosed
US-6245779-B1 ANALGESICS; ANTIINFLAMMATORY AGENTS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-06-12 US disclosed
EP-0997463-A1 NAPHTHYRIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2000-05-03 EP disclosed
US-4958026-A HYPOTENSIVE AGENTS SCHERING AKTIENGESLLSCHAFT (DE) 1990-09-18 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 (5 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-20080090825-A1 Metallo-beta-lactamase inhibitors ME1, MGAM, GAA CA12 909/4885CA9 157/4885CA2 313/4885
US-20170101405-A1 N-SULFONYLATED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE CFTR, P2RY1, P2RX5 CA12 3011/4885CA9 2975/4885CA2 1947/4885
US-20100145063-A1 2- thioethenyl substituted carbapenem derivatives MTAP, BLVRB, TPMT CA12 1331/4885CA9 1126/4885CA2 2410/4885
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MTAP, BLVRB, BPGM CA12 799/4885CA9 765/4885CA2 1641/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA CA12 953/4885CA9 163/4885CA2 355/4885

“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.