SCHEMBL9940082

SCHEMBL9940082

B.CCCCCOC(C)(C)C(C)(C)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.38
CA1 P00915 10/20 0.35
CA2 P00918 10/20 0.35
CA9 Q16790 9/20 0.35
CA12 O43570 5/20 0.35
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
LPAR3 Q9UBY5 6/20 0.34
LPAR2 Q9HBW0 5/20 0.34
CA7 P43166 3/20 0.34
CA14 Q9ULX7 3/20 0.34
LPAR1 Q92633 2/20 0.34
CA3 P07451 2/20 0.34
CA4 P22748 2/20 0.34
CA6 P23280 2/20 0.34
CA5A P35218 2/20 0.34
CA5B Q9Y2D0 2/20 0.34

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
SCHEMBL16465846 0.98 CES1 (0.39) CES1CA1CA2CA9CA12
SCHEMBL29219352 0.95 CES1 (0.42) CES1CA1CA2CA9CA12
SCHEMBL28142304 0.95 CES1 (0.42) CES1CA1CA2CA9CA12
SCHEMBL2535307 0.93 CES1 (0.37) CES1CA1CA2CA9CA12
Boric Acid SCHEMBL461466 0.91 CES1 (0.36) CES1CA1CA2CA9CA12
SCHEMBL27916215 0.91 TSHR (0.37) CES1CA1CA2
SCHEMBL28993175 0.90 CES1 (0.39) CES1CA1CA2CA9CA12
Boric Acid SCHEMBL28543765 0.90 CES1 (0.39) CES1CA1CA2CA9CA12
Boric Acid SCHEMBL29150377 0.90 CES1 (0.39) CES1CA1CA2CA9CA12
SCHEMBL28993164 0.90 CES1 (0.39) CES1CA1CA2CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024141443-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS SIK MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2024-07-04 WO disclosed
WO-2023139084-A1 NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2023-07-27 WO disclosed
WO-2023139085-A1 NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2023-07-27 WO disclosed
CN-115322199-A Compounds and their use in the treatment of schistosomiasis 默克专利股份有限公司 2022-11-11 CN disclosed
CN-110461848-B Compounds and their use in the treatment of schistosomiasis 默克专利股份有限公司 2022-09-20 CN disclosed
US-20210230169-A1 COMPOUNDS FOR USE IN THE TREATMENT OF FASCIOLIASIS MERCK PATENT GMBH (DE) 2021-07-29 US disclosed
US-11046700-B2 Substituted imidazo[1,2-a]pyrazines, pyrazolo[1,5-c]pyrimidines, pyrazolo[1,5-a]pyridines, and purines for the treatment of schistosomiasis MERCK PATENT GMBH (DE) 2021-06-29 US disclosed
EP-3823728-A1 COMPOUNDS FOR USE IN THE TREATMENT OF FASCIOLIASIS Merck Patent GmbH (DE) 2021-05-26 EP disclosed
CN-112512636-A Compounds for the treatment of fascioliasis 默克专利股份有限公司 2021-03-16 CN disclosed
US-20200123158-A1 NOVEL COMPOUNDS AND THEIR USE IN THE TREATMENT OF SCHISTOSOMIASIS SALVENSIS (GB) 2020-04-23 US disclosed
EP-3181133-B1 NOVEL FUSED PYRIDINE COMPOUNDS AS CASEIN KINASE INHIBITORS PFIZER (US) 2019-07-24 EP disclosed
WO-2018130853-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF SCHISTOSOMIASIS SALVENSIS (GB) 2018-07-19 WO disclosed
EP-3181133-A1 NOVEL FUSED PYRIDINE COMPOUNDS AS CASEIN KINASE INHIBITORS Pfizer Inc (US) 2017-06-21 EP disclosed
EP-2654750-B1 NOVEL FUSED PYRIDINE COMPOUNDS AS CASEIN KINASE INHIBITORS PFIZER (US) 2017-03-08 EP disclosed
CN-103260622-B Novel fused pyridine compounds as casein kinase inhibitors PFIZER 2015-05-13 CN disclosed
EP-2654750-A1 NOVEL FUSED PYRIDINE COMPOUNDS AS CASEIN KINASE INHIBITORS Pfizer Inc (US) 2013-10-30 EP disclosed
US-8536164-B2 Fused pyridine compounds as casein kinase inhibitors PFIZER INC. (US) 2013-09-17 US disclosed
CN-103260622-A Novel fused pyridine compounds as casein kinase inhibitors PFIZER 2013-08-21 CN disclosed
WO-2012085721-A1 NOVEL FUSED PYRIDINE COMPOUNDS AS CASEIN KINASE INHIBITORS PFIZER INC. (US) 2012-06-28 WO disclosed
US-20120157440-A1 NOVEL FUSED PYRIDINE COMPOUNDS AS CASEIN KINASE INHIBITORS PFIZER INC 2012-06-21 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 (4 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-20210230169-A1 COMPOUNDS FOR USE IN THE TREATMENT OF FASCIOLIASIS SLC10A1, SLC10A2, MGST3 CES1 638/4885CA1 2210/4885CA2 472/4885
US-11046700-B2 Substituted imidazo[1,2-a]pyrazines, pyrazolo[1,5-c]pyrimidines, pyrazolo[1,5-a]pyridines, and purines for the treatment of schistosomiasis P2RY1, P2RX5, TPMT CES1 1417/4885CA1 2417/4885CA2 532/4885
US-20200123158-A1 NOVEL COMPOUNDS AND THEIR USE IN THE TREATMENT OF SCHISTOSOMIASIS SI, SLC10A2, ALPI CES1 1128/4885CA1 1468/4885CA2 220/4885
US-20120157440-A1 NOVEL FUSED PYRIDINE COMPOUNDS AS CASEIN KINASE INHIBITORS CSNK1A1, CSNK1A1L, CSNK1E CES1 919/4885CA1 1839/4885CA2 713/4885

“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.