SCHEMBL2797664

SCHEMBL2797664

CC(C)c1ccc2[nH]c(=O)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.59
THRB P10828 2/20 0.59
CA12 O43570 2/20 0.59
CA9 Q16790 2/20 0.59
F11 P03951 1/20 0.55
EIF4A3 P38919 2/20 0.50
CA1 P00915 1/20 0.47
CA3 P07451 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA13 Q8N1Q1 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
MAPK1 P28482 1/20 0.45
AR P10275 1/20 0.44
TP53 P04637 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42

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
SCHEMBL12589456 0.87 EIF4A3 (0.56) MAPTTHRBCA12CA9F11
SCHEMBL9251438 0.86 CA12 (0.56) MAPTTHRBCA12CA9F11
SCHEMBL10053496 0.83 MAPT (0.54) MAPTTHRBCA12CA9F11
SCHEMBL21366585 0.81 CA12 (0.54) MAPTTHRBCA12CA9F11
SCHEMBL15341946 0.78 MAPT (0.44) MAPTTHRBCA12CA9F11
SCHEMBL21133726 0.76 CA12 (0.52) MAPTTHRBCA12CA9F11
SCHEMBL17951770 0.75 MAPK1 (0.68) MAPTCA12CA9F11CA1
SCHEMBL22184893 0.75 IDH1 (0.42) MAPTTHRBEIF4A3MAPK1KDM4E
SCHEMBL10464405 0.75 CYP17A1 (0.53) MAPTTHRBCA12CA9PDE3B
SCHEMBL18713523 0.75 CA12 (0.47) MAPTTHRBCA12CA9F11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023239645-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed
US-20230250095-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF TUOJIE BIOTECH(SHANGHAI) CO., LTD. (CN) 2023-08-10 US disclosed
US-20230159446-A1 Methods and Compositions for Targeting Tregs using CCR8 Inhibitors NANJING IMMUNOPHAGE BIOMEDICAL CO., LTD. (CN) 2023-05-25 US disclosed
US-20230038589-A1 Methods and compositions for targeting Tregs using CCR8 inhibitors Nanjing Immunophage Biotech Co., Ltd. (CN) 2023-02-09 US disclosed
US-20220220111-A1 1,8-NAPHTHYRIDINONE COMPOUNDS AND USES THEREOF NUVATION BIO OPERATING COMPANY INC (US) 2022-07-14 US disclosed
US-20220119367-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS INTEGRAL BIOSCIENCES PVT. LTD. (IN) 2022-04-21 US disclosed
WO-2022000443-A1 METHODS AND COMPOSITIONS FOR TARGETING TREGS USING CCR8 INHIBITORS Nanjing Immunophage Biotech Co., Ltd. (CN) 2022-01-06 WO disclosed
WO-2021252859-A1 INHIBITORS OF APOL1 AND USE OF THE SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-12-16 WO disclosed
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS NUVATION BIO INC (US) 2021-09-23 US disclosed
US-11028058-B2 Heterocyclic compounds as adenosine antagonists NUVATION BIO INC. (US) 2021-06-08 US disclosed
EP-2468743-A1 Nitrogen-containing bicyclic compounds useful as antibacterial agents Toyama Chemical Co., Ltd. (JP) 2012-06-27 EP disclosed
WO-2012006202-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 WO disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 US disclosed
US-7935706-B2 Nitrogen-containing heterocycle derivatives substituted with cyclic group SHIONOGI & CO., LTD. (JP) 2011-05-03 US disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 US disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 US disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 US disclosed
US-20090062261-A1 NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES SUBSTITUTED WITH CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2009-03-05 US disclosed
EP-1900732-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2008-03-19 EP disclosed
EP-1900732-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2008-03-19 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 (10 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-20230159446-A1 Methods and Compositions for Targeting Tregs using CCR8 Inhibitors CCR8, CCR1, CCR3 MAPT 4016/4885THRB 3004/4885CA12 1264/4885
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 MAPT 3534/4885THRB 4084/4885CA12 3156/4885
US-20220220111-A1 1,8-NAPHTHYRIDINONE COMPOUNDS AND USES THEREOF NME1, ADORA2A, GPR68 MAPT 4854/4885THRB 937/4885CA12 4784/4885
US-20230250095-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF P2RX7, P2RX3, P2RX5 MAPT 4728/4885THRB 4488/4885CA12 4849/4885
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF ROS1, NOX1, ARG1 MAPT 4858/4885THRB 2956/4885CA12 2114/4885
US-20090062261-A1 NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES SUBSTITUTED WITH CYCLIC GROUP NR4A1, NR0B2, NR0B1 MAPT 3860/4885THRB 424/4885CA12 1849/4885
US-11028058-B2 Heterocyclic compounds as adenosine antagonists ADORA2A, ADORA3, ADORA1 MAPT 4850/4885THRB 428/4885CA12 4527/4885
US-20220119367-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 MAPT 4850/4885THRB 428/4885CA12 4527/4885
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 MAPT 4850/4885THRB 428/4885CA12 4527/4885
US-20230038589-A1 Methods and compositions for targeting Tregs using CCR8 inhibitors CCR8, CCR1, CCR3 MAPT 4016/4885THRB 3004/4885CA12 1264/4885

“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.