SCHEMBL2454072

SCHEMBL2454072

CS(=O)(=O)OCC1CCCN(Cc2ccccc2)C1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.58
ACHE P22303 5/20 0.58
MAOB P27338 4/20 0.58
POLB P06746 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CYP2D6 P10635 2/20 0.51
ALDH1A1 P00352 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAOA P21397 2/20 0.51
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL12090230 1.00 BCHE (0.58) BCHEACHEMAOBPOLBMEN1
SCHEMBL4917481 0.92 DRD2 (0.52) BCHEACHEMAOBALDH1A1
SCHEMBL2576650 0.92 DRD2 (0.52) BCHEACHEMAOBALDH1A1
SCHEMBL4917475 0.92 DRD2 (0.52) BCHEACHEMAOBALDH1A1
SCHEMBL9208266 0.87 BCHE (0.58) BCHEACHEMAOBPOLBMEN1
SCHEMBL5765604 0.85 ALDH1A1 (0.53) BCHEACHEMAOBALDH1A1
SCHEMBL1943416 0.84 ACHE (0.53) BCHEACHEMAOBPOLBMEN1
SCHEMBL5745231 0.82 BCHE (0.58) BCHEACHEMAOBCYP2D6ALDH1A1
SCHEMBL28497475 0.82 BCHE (0.58) BCHEACHEMAOBCYP2D6ALDH1A1
SCHEMBL19209909 0.82 BCHE (0.58) BCHEACHEMAOBCYP2D6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11168071-B2 Small molecule inhibitors of shared epitope-calreticulin interactions and methods of use THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-11-09 US disclosed
US-20200299268-A1 SMALL MOLECULE INHIBITORS OF SHARED EPITOPE-CALRETICULIN INTERACTIONS AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2020-09-24 US disclosed
US-10723718-B2 Small molecule inhibitors of shared epitope-calreticulin interactions and methods of use THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-07-28 US disclosed
US-20190135783-A1 SMALL MOLECULE INHIBITORS OF SHARED EPITOPE-CALRETICULIN INTERACTIONS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-05-09 US disclosed
EP-2380877-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE Kowa Company, Ltd. (JP) 2011-10-26 EP disclosed
US-20110237590-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE KOWA COMPANY, LTD. (JP) 2011-09-29 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-10723718-B2 Small molecule inhibitors of shared epitope-calreticulin interactions and methods of use CALR, PTPRC, PTPRJ BCHE 3103/4885ACHE 4412/4885MAOB 4861/4885
US-11168071-B2 Small molecule inhibitors of shared epitope-calreticulin interactions and methods of use CALR, PTPRC, PTPRJ BCHE 3126/4885ACHE 4404/4885MAOB 4861/4885
US-20190135783-A1 SMALL MOLECULE INHIBITORS OF SHARED EPITOPE-CALRETICULIN INTERACTIONS AND METHODS OF USE CALR, PTPRC, PTPRJ BCHE 3126/4885ACHE 4404/4885MAOB 4861/4885
US-20200299268-A1 SMALL MOLECULE INHIBITORS OF SHARED EPITOPE-CALRETICULIN INTERACTIONS AND METHODS OF USE CALR, PTPRC, PTPRJ BCHE 3126/4885ACHE 4404/4885MAOB 4861/4885
US-20110237590-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE JAK3, JAK1, UACA BCHE 3151/4885ACHE 4643/4885MAOB 3277/4885

“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.