SCHEMBL2631698

SCHEMBL2631698

COCc1ccc(C(=O)O)nc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 12/20 0.61
KDM4E B2RXH2 4/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
ALDH1A1 P00352 2/20 0.58
LMNA P02545 2/20 0.58
MEN1 O00255 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
MAPT P10636 1/20 0.58
PKM P14618 1/20 0.58
ALOX15 P16050 1/20 0.58
TSHR P16473 1/20 0.58
NFKB1 P19838 1/20 0.58
THPO P40225 1/20 0.58
BLM P54132 1/20 0.58
PMP22 Q01453 1/20 0.58
KMT2A Q03164 1/20 0.58
HIF1A Q16665 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
MAPK1 P28482 1/20 0.53

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
SCHEMBL26401192 0.86 P4HTM (0.43) P4HTMKDM4EL3MBTL1ALDH1A1LMNA
SCHEMBL2631699 0.84 MAPK1 (0.59) P4HTMKDM4EL3MBTL1ALDH1A1LMNA
SCHEMBL1421636 0.83 KDM4E (0.59) P4HTMKDM4EL3MBTL1ALDH1A1LMNA
SCHEMBL1244869 0.81 P4HTM (0.56) P4HTMKDM4EL3MBTL1ALDH1A1LMNA
SCHEMBL24956361 0.81 PARP1 (0.48) P4HTMKDM4EL3MBTL1ALDH1A1LMNA
SCHEMBL22912573 0.80 POLB (0.51) KDM4EL3MBTL1ALDH1A1LMNAMEN1
SCHEMBL28835625 0.80 P4HTM (0.54) P4HTMKDM4EL3MBTL1ALDH1A1LMNA
SCHEMBL286868 0.79 KDM4E (0.69) P4HTMKDM4EL3MBTL1ALDH1A1LMNA
SCHEMBL16169779 0.79 P4HTM (0.67) P4HTMKDM4EL3MBTL1ALDH1A1LMNA
SCHEMBL31003087 0.79 POLB (0.40) P4HTMKDM4EL3MBTL1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4658656-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES Beone Medicines I GmbH (CH) 2025-12-10 EP disclosed
US-20250346597-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES BEONE MEDICINES I GMBH (CH) 2025-11-13 US disclosed
WO-2024160276-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES BEIGENE, LTD. (KY) 2024-08-08 WO disclosed
US-9687494-B2 Iminothiadiazine dioxide compounds as BACE inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2017-06-27 US disclosed
US-9687494-B2 Iminothiadiazine dioxide compounds as BACE inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2017-06-27 US disclosed
US-20160367563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2016-12-22 US disclosed
US-20160367563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2016-12-22 US disclosed
US-9475785-B2 Iminothiadiazine dioxide compounds as BACE inhibitors, compositions and their use MERCK SHARP & DOHME CORP. (US) 2016-10-25 US disclosed
US-9475785-B2 Iminothiadiazine dioxide compounds as BACE inhibitors, compositions and their use MERCK SHARP & DOHME CORP. (US) 2016-10-25 US disclosed
US-9428475-B2 Iminothiadiazine dioxide compounds as BACE inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2016-08-30 US disclosed
US-20140206675-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2014-07-24 US disclosed
US-20140206675-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2014-07-24 US disclosed
US-8729071-B2 Iminothiadiazine dioxide compounds as BACE inhibitors, compositions and their use MERCK SHARP & DOHME CORP. (US) 2014-05-20 US disclosed
US-8729071-B2 Iminothiadiazine dioxide compounds as BACE inhibitors, compositions and their use MERCK SHARP & DOHME CORP. (US) 2014-05-20 US disclosed
US-20120183563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME LLC 2012-07-19 US disclosed
US-20120183563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME LLC 2012-07-19 US disclosed
US-8158620-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-17 US disclosed
CN-102149680-A Nitrogen-containing aromatic heterocyclyl compound DAIICHI SANKYO CO LTD 2011-08-10 CN disclosed
US-20100317850-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-16 US disclosed
US-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-20 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 (6 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-20160367563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, BACE2, APP P4HTM 1060/4885KDM4E 3705/4885L3MBTL1 441/4885
US-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 P4HTM 2590/4885KDM4E 1726/4885L3MBTL1 242/4885
US-20250346597-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES DGKG, DGKA, DGKK P4HTM 4730/4885KDM4E 2066/4885L3MBTL1 4317/4885
US-20120183563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE BACE1, BACE2, APP P4HTM 852/4885KDM4E 3588/4885L3MBTL1 616/4885
US-20140206675-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, BACE2, APP P4HTM 1039/4885KDM4E 3754/4885L3MBTL1 396/4885
US-20100317850-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, APP, BACE2 P4HTM 2407/4885KDM4E 1745/4885L3MBTL1 571/4885

“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.