SCHEMBL4132081

SCHEMBL4132081

O=C1CCC(=O)N1N(C(=O)O)N1C(=O)CCC1=O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL5408573 0.77 CA12 (0.33) CA12CA1CA9KDM4E
SCHEMBL352075 0.77 CA12 (0.33) CA12CA1CA9KDM4EPOLB
SCHEMBL8768383 0.75 CA12 (0.32) CA12CA1CA9KDM4E
Acetic Acid SCHEMBL3486649 0.72 FFAR3 (0.35) CA12CA1CA9POLB
Ethylenediamine SCHEMBL7125278 0.69 KDM4E (0.31) KDM4E
SCHEMBL5664428 0.68 TSHR (0.35)
SCHEMBL11711601 0.68 NPSR1 (0.39) CA12CA1CA9ALDH1A1POLB
SCHEMBL8629433 0.67 CRBN (0.32)
SCHEMBL18271092 0.66 HTT (0.36) CA12CA1CA9KDM4EALDH1A1
Bicarbonate SCHEMBL6150295 0.63 CA1 (0.38) CA12CA1CA9KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210011014-A1 DETECTION AND ASSAY DEVICES AND METHODS OF MAKING AND USING THE SAME HUCKNALL, ANGUS 2021-01-14 US disclosed
US-20190285623-A1 DETECTION AND ASSAY DEVICES AND METHODS OF MAKING AND USING THE SAME Sentilus Holdco LLC (US) 2019-09-19 US disclosed
US-10288607-B2 Detection and assay devices and methods of making and using the same Sentilus Holdco LLC (US) 2019-05-14 US disclosed
US-20140228249-A1 Detection and Assay Devices and Methods of Making and Using the Same SENTILUS, INC. (US) 2014-08-14 US disclosed
US-8796184-B2 Detection assay devices and methods of making and using the same SENTILUS, INC. (US) 2014-08-05 US disclosed
US-20090247424-A1 DETECTION ASSAY DEVICES AND METHODS OF MAKING AND USING THE SAME DUKE UNIVERSITY (US) 2009-10-01 US disclosed
US-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-12-23 US disclosed
EP-1437344-A1 BENZENE DERIVATIVES,PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-07-14 EP disclosed
EP-0820278-A4 NON-IMMUNOGENIC, BIOCOMPATIBLE MACROMOLECULAR MEMBRANE COMPOSITIONS, AND METHODS FOR MAKING AND USING SAME BIOMM INC (US) 2004-06-09 EP disclosed
EP-0820278-A1 NON-IMMUNOGENIC, BIOCOMPATIBLE MACROMOLECULAR MEMBRANE COMPOSITIONS, AND METHODS FOR MAKING AND USING SAME Biomm, Incorporated (US) 1998-01-28 EP disclosed
WO-1996032098-A1 NON-IMMUNOGENIC, BIOCOMPATIBLE MACROMOLECULAR MEMBRANE COMPOSITIONS, AND METHODS FOR MAKING AND USING SAME BIOMM, INCORPORATED (US) 1996-10-17 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 (1 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-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof HRH4, HRH2, HRH1 CA12 4703/4885CA1 3612/4885CA9 3027/4885

“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.