SCHEMBL2742289

SCHEMBL2742289

CCC(NC(C)=O)C(=O)NCc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.74
CA1 P00915 1/20 0.74
CA2 P00918 1/20 0.74
CA3 P07451 1/20 0.74
CA4 P22748 1/20 0.74
CA6 P23280 1/20 0.74
CA5A P35218 1/20 0.74
CA7 P43166 1/20 0.74
CACNA1C Q13936 1/20 0.74
SCN9A Q15858 1/20 0.74
CA9 Q16790 1/20 0.74
CA13 Q8N1Q1 1/20 0.74
CA14 Q9ULX7 1/20 0.74
CA5B Q9Y2D0 1/20 0.74
ALDH1A1 P00352 1/20 0.59
POLB P06746 1/20 0.58
CTSS P25774 1/20 0.57
CTSK P43235 1/20 0.57
EGFR P00533 1/20 0.56
SRC P12931 1/20 0.56

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
SCHEMBL2606494 1.00 CA12 (0.74) CA12CA1CA2CA3CA4
SCHEMBL12240240 1.00 CA12 (0.74) CA12CA1CA2CA3CA4
SCHEMBL22905316 0.88 CA1 (0.70) CA12CA1CA2CA3CA4
SCHEMBL8205298 0.88 CA12 (0.74) CA12CA1CA2CA3CA4
SCHEMBL47275 0.88 CA12 (0.74) CA12CA1CA2CA3CA4
SCHEMBL1697369 0.88 CA12 (0.74) CA12CA1CA2CA3CA4
SCHEMBL15158568 0.86 POLB (0.57) CA12CA1CA2CA3CA4
SCHEMBL21731734 0.86 CA1 (0.72) CA12CA1CA2CA3CA4
SCHEMBL47280 0.86 CA1 (0.72) CA12CA1CA2CA3CA4
SCHEMBL7356728 0.86 CA12 (0.72) CA12CA1CA2CA3CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3838893-B1 LINKER, ANTIBODY-DRUG CONJUGATE INCLUDING SAME, AND USE THEREOF ACAD OF MILITARY MEDICAL SCIENCES (CN) 2023-04-19 EP disclosed
EP-3838893-A1 LINKER, ANTIBODY-DRUG CONJUGATE INCLUDING SAME, AND USE THEREOF Academy of Military Medical Sciences (CN) 2021-06-23 EP disclosed
WO-2020035027-A1 LINKER, ANTIBODY-DRUG CONJUGATE INCLUDING SAME, AND USE THEREOF 中国人民解放军军事科学院军事医学研究院 2020-02-20 WO disclosed
US-8946476-B2 Process for the preparation of amino acid derivatives UCB PHARMA GMBH (DE) 2015-02-03 US disclosed
US-8378142-B2 Intermediate compounds and their use in preparation of lacosamide RANBAXY LABORATORIES LIMITED (IN) 2013-02-19 US disclosed
US-20120004452-A1 INTERMEDIATE COMPOUNDS AND THEIR USE IN PREPARATION OF LACOSAMIDE RANBAXY LABORATORIES LIMITED (IN) 2012-01-05 US disclosed
US-20120004462-A1 INTERMEDIATE COMPOUNDS AND THEIR USE IN PREPARATION OF LACOSAMIDE RANBAXY LABORATORIES LIMITED (IN) 2012-01-05 US disclosed
US-20110263899-A1 Novel Process for the Preparation of Amino Acid Derivatives UCB PHARMA GMBH (DE) 2011-10-27 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-20120004452-A1 INTERMEDIATE COMPOUNDS AND THEIR USE IN PREPARATION OF LACOSAMIDE HDAC2, HDAC5, SCN5A CA12 11/4885CA1 10/4885CA2 23/4885
US-20110263899-A1 Novel Process for the Preparation of Amino Acid Derivatives BCAT2, DNPEP, NPEPPS CA12 743/4885CA1 254/4885CA2 141/4885
US-20120004462-A1 INTERMEDIATE COMPOUNDS AND THEIR USE IN PREPARATION OF LACOSAMIDE HDAC2, HDAC5, SCN5A CA12 11/4885CA1 10/4885CA2 23/4885

“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.