SCHEMBL4077855

SCHEMBL4077855

C=CCCOc1cnc(C(=O)O)cn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.41
SIRT6 Q8N6T7 1/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 4/20 0.38
P4HTM Q9NXG6 5/20 0.35
NAPRT Q6XQN6 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
P4HA1 P13674 1/20 0.33
MIF P14174 1/20 0.33
HCAR3 P49019 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
GAA P10253 1/20 0.31
TSHR P16473 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
SCHEMBL27616368 0.83 SIRT6 (0.42) BACE1SIRT6ALDH1A1L3MBTL1KDM4E
SCHEMBL2644187 0.82 SIRT6 (0.41) BACE1SIRT6ALDH1A1L3MBTL1KDM4E
SCHEMBL10328670 0.78 SIRT6 (0.47) BACE1SIRT6ALDH1A1L3MBTL1KDM4E
SCHEMBL2108443 0.78 SIRT6 (0.43) BACE1SIRT6ALDH1A1L3MBTL1KDM4E
SCHEMBL991368 0.78 SIRT6 (0.46) BACE1SIRT6ALDH1A1L3MBTL1KDM4E
SCHEMBL31379016 0.78 SIRT6 (0.46) BACE1SIRT6ALDH1A1L3MBTL1KDM4E
SCHEMBL17496554 0.77 SIRT6 (0.42) BACE1SIRT6ALDH1A1L3MBTL1KDM4E
SCHEMBL1935667 0.77 SIRT6 (0.50) BACE1SIRT6L3MBTL1KDM4ENAPRT
SCHEMBL1173653 0.76 P4HTM (0.55) ALDH1A1L3MBTL1KDM4EP4HTMP4HA1
SCHEMBL841915 0.74 EPHX2 (0.46) BACE1SIRT6L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357270-A1 TETRAHYDROISOQUINOLINE DERIVATIVES FOR THE TREATMENT OF RED BLOOD DISORDERS AND INFLAMMATORY DISEASES SANOFI (FR) 2023-11-09 US disclosed
EP-4211134-A1 TETRAHYDROISOQUINOLINE DERIVATIVES FOR THE TREATMENT OF RED BLOOD DISORDERS AND INFLAMMATORY DISEASES Sanofi (FR) 2023-07-19 EP disclosed
CN-116406364-A Tetrahydroisoquinoline derivatives for the treatment of erythrocyte disorders and inflammatory diseases 赛诺菲公司 2023-07-07 CN disclosed
WO-2022056448-A1 TETRAHYDROISOQUINOLINE DERIVATIVES FOR THE TREATMENT OF RED BLOOD DISORDERS AND INFLAMMATORY DISEASES SANOFI (FR) 2022-03-17 WO disclosed
US-20170137341-A1 FLUORINATION METHOD OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2017-05-18 US disclosed
US-8884062-B2 Aminodihydrothiazine derivatives substituted with a cyclic group SHIONOGI & CO., LTD. (JP) 2014-11-11 US disclosed
US-8884062-B2 Aminodihydrothiazine derivatives substituted with a cyclic group SHIONOGI & CO., LTD. (JP) 2014-11-11 US disclosed
EP-2147914-B1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH CYCLIC GROUPS SHIONOGI & CO (JP) 2014-06-04 EP disclosed
US-20140073815-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2014-03-13 US disclosed
US-20140073815-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2014-03-13 US disclosed
US-8541408-B2 Aminodihydrothiazine derivatives substituted with a cyclic group SHIONOGI & CO., LTD. (JP) 2013-09-24 US disclosed
US-8507479-B2 2013-08-13 US disclosed
US-8507479-B2 2013-08-13 US disclosed
US-20120172355-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2012-07-05 US disclosed
US-20120172355-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2012-07-05 US disclosed
US-8168630-B2 Aminodihydrothiazine derivatives substituted with a cyclic group SHIONOGI & CO., LTD. (JP) 2012-05-01 US disclosed
US-8168630-B2 Aminodihydrothiazine derivatives substituted with a cyclic group SHIONOGI & CO., LTD. (JP) 2012-05-01 US disclosed
US-20100075957-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2010-03-25 US disclosed
US-20100075957-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2010-03-25 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-20120172355-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP APP, IAPP, APBA1 BACE1 6/4885SIRT6 3400/4885ALDH1A1 1525/4885
US-20230357270-A1 TETRAHYDROISOQUINOLINE DERIVATIVES FOR THE TREATMENT OF RED BLOOD DISORDERS AND INFLAMMATORY DISEASES NFE2L2, KEAP1, NFE2 BACE1 4118/4885SIRT6 1246/4885ALDH1A1 1088/4885
US-20170137341-A1 FLUORINATION METHOD F13B, PPARG, PGC BACE1 4173/4885SIRT6 1800/4885ALDH1A1 905/4885
US-20100075957-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP APP, IAPP, APBA1 BACE1 5/4885SIRT6 3563/4885ALDH1A1 1383/4885
US-20140073815-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP APP, IAPP, APBA1 BACE1 6/4885SIRT6 3400/4885ALDH1A1 1525/4885

“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.