SCHEMBL8964947

SCHEMBL8964947

CC(C)(C)c1cnc(C(=O)O)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.39
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
GLRA3 O75311 1/20 0.35
GLRB P48167 1/20 0.35
CNR2 P34972 1/20 0.33
KDM4E B2RXH2 4/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDPK1 O15530 1/20 0.32
YEATS4 O95619 1/20 0.32
GRN P28799 1/20 0.32
SORT1 Q99523 1/20 0.32
RPS6KB1 P23443 1/20 0.32
PKM P14618 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
RXFP1 Q9HBX9 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL14684024 0.83 ALDH1A1 (0.41) HCAR2MAPK1KMT2ACNR2ALDH1A1
SCHEMBL2678390 0.82 ALDH1A1 (0.37) MAPK1KMT2ACNR2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL5010782 0.80 ALDH1A1 (0.36) MAPK1KMT2ACNR2KDM4EALDH1A1
SCHEMBL15759484 0.79 POLB (0.40) CNR2ALDH1A1PKMRXFP1
SCHEMBL21366412 0.79 MAPK1 (0.41) MAPK1KDM4EALDH1A1HPGDNPSR1
SCHEMBL14684006 0.77 HCAR2 (0.32) HCAR2MAPK1KMT2ACNR2
SCHEMBL15759485 0.77 GSK3B (0.34) MAPK1KMT2ACNR2ALDH1A1MAPT
Bromide SCHEMBL15751628 0.76 GSK3B (0.33) KMT2ACNR2ALDH1A1MAPT
SCHEMBL9963873 0.76 PDPK1 (0.31) CNR2PDPK1
SCHEMBL20711411 0.74 HPGD (0.44) KMT2AKDM4EALDH1A1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3444251-B1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN MA INC (US) 2023-06-07 EP disclosed
US-10280169-B2 Biaryl bruton's tyrosine kinase inhibitors BIOGEN MA INC. (US) 2019-05-07 US disclosed
EP-3444251-A1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY Biogen MA Inc. (US) 2019-02-20 EP disclosed
EP-3080122-B1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN MA INC (US) 2018-10-31 EP disclosed
US-9809577-B2 Biaryl inhibitors of Bruton's tyrosine kinase BIOGEN MA INC. (US) 2017-11-07 US disclosed
US-9809577-B2 Biaryl inhibitors of Bruton's tyrosine kinase BIOGEN MA INC. (US) 2017-11-07 US disclosed
US-20160318935-A1 BIARYL BRUTON'S TYROSINE KINASE INHIBITORS BIOGEN MA INC. 2016-11-03 US disclosed
US-20160311802-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2016-10-27 US disclosed
US-20160311802-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2016-10-27 US disclosed
EP-3080122-A1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY Biogen MA Inc. (US) 2016-10-19 EP disclosed
US-20140155597-A1 AMIDINE COMPOUND OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2014-06-05 US disclosed
US-20140155597-A1 AMIDINE COMPOUND OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2014-06-05 US disclosed
US-20140155597-A1 AMIDINE COMPOUND OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2014-06-05 US disclosed
EP-2738163-A1 AMIDINE COMPOUND OR SALT THEREOF Taisho Pharmaceutical Co., Ltd. (JP) 2014-06-04 EP disclosed
EP-2738163-A1 AMIDINE COMPOUND OR SALT THEREOF Taisho Pharmaceutical Co., Ltd. (JP) 2014-06-04 EP disclosed
EP-0459244-B1 Sulphonilised carboxylic acid amides BAYER AG (DE) 1996-02-28 EP disclosed
EP-0569810-A1 Sulphonylamide herbicides BAYER AG (DE) 1993-11-18 EP disclosed
US-5256632-A Pre- and postemergence BAYER AKTIENGESELLSCHAFT (DE) 1993-10-26 US disclosed
US-5205853-A Premergence and postemergence herbicides BAYER AKTIENGESELLSCHAFT (DE) 1993-04-27 US disclosed
EP-0459244-A1 Sulphonilised carboxylic acid amides BAYER AG (DE) 1991-12-04 EP 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-20160318935-A1 BIARYL BRUTON'S TYROSINE KINASE INHIBITORS ABL1, BTK, LYN HCAR2 4064/4885MAPK1 618/4885KMT2A 1611/4885
US-20160311802-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, LYN HCAR2 4117/4885MAPK1 626/4885KMT2A 1470/4885
US-10280169-B2 Biaryl bruton's tyrosine kinase inhibitors ABL1, BTK, LYN HCAR2 4064/4885MAPK1 618/4885KMT2A 1611/4885
US-20140155597-A1 AMIDINE COMPOUND OR SALT THEREOF ERG28, ARG1, THEM6 HCAR2 1856/4885MAPK1 51/4885KMT2A 2444/4885

“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.