SCHEMBL17386157

SCHEMBL17386157

COCOc1ccc(C(=O)OC)cc1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.51
ALDH1A1 P00352 3/20 0.50
EGFR P00533 1/20 0.50
MAPT P10636 4/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
XDH P47989 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPK1 P28482 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
SCHEMBL22324058 0.88 EGFR (0.50) NOTUMALDH1A1EGFRMAPTKMT2A
SCHEMBL2645488 0.87 HSD17B2 (0.51) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL29888190 0.86 ALDH1A1 (0.51) ALDH1A1EGFRMAPTKMT2AMEN1
SCHEMBL8133907 0.86 ALDH1A1 (0.51) ALDH1A1EGFRMAPTKMT2AMEN1
SCHEMBL6601501 0.86 MAPT (0.59) NOTUMALDH1A1MAPTKMT2AMEN1
SCHEMBL4260758 0.85 PTPN1 (0.53) ALDH1A1EGFRMAPTKMT2AMEN1
SCHEMBL4260760 0.85 PTPN1 (0.53) ALDH1A1EGFRMAPTKMT2AMEN1
SCHEMBL15068193 0.83 NOTUM (0.50) NOTUMALDH1A1MAPTKMT2AMEN1
SCHEMBL6294921 0.83 THRA (0.51) NOTUMALDH1A1MAPTKMT2AMEN1
SCHEMBL18456830 0.83 MAPT (0.64) ALDH1A1EGFRMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208940-A1 SMALL-MOLECULE INHIBITORS FOR BETA-CATENIN/BCELL LYMPHOMA 9 PROTEIN-PROTEIN INTERACTION H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2024-06-27 US disclosed
WO-2022225909-A1 SMALL-MOLECULE INHIBITORS FOR BETA-CATENIN/BCELL LYMPHOMA 9 PROTEIN-PROTEIN INTERACTION H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2022-10-27 WO disclosed
CN-108017603-B Tricyclic compounds and uses thereof 株式会社蒂奥姆生物 2021-07-23 CN disclosed
EP-2963027-B1 TRICYCLIC COMPOUND AND USE THEREOF TIUMBIO CO LTD (KR) 2018-12-26 EP disclosed
US-9643946-B2 Tricyclic compound and use thereof SK CHEMICALS CO., LTD. (KR) 2017-05-09 US disclosed
US-9643946-B2 Tricyclic compound and use thereof SK CHEMICALS CO., LTD. (KR) 2017-05-09 US disclosed
US-9643946-B2 Tricyclic compound and use thereof SK CHEMICALS CO., LTD. (KR) 2017-05-09 US disclosed
US-20160009677-A1 TRICYCLIC COMPOUND AND USE THEREOF SK CHEMICALS CO., LTD. (KR) 2016-01-14 US disclosed
US-20160009677-A1 TRICYCLIC COMPOUND AND USE THEREOF SK CHEMICALS CO., LTD. (KR) 2016-01-14 US disclosed
US-20160009677-A1 TRICYCLIC COMPOUND AND USE THEREOF SK CHEMICALS CO., LTD. (KR) 2016-01-14 US disclosed
EP-2963027-A1 TRICYCLIC COMPOUND AND USE THEREOF SK Chemicals Co., Ltd. (KR) 2016-01-06 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 (2 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-20240208940-A1 SMALL-MOLECULE INHIBITORS FOR BETA-CATENIN/BCELL LYMPHOMA 9 PROTEIN-PROTEIN INTERACTION BCL9, BCL9L, BCL6 NOTUM 2543/4885ALDH1A1 4070/4885EGFR 3386/4885
US-20160009677-A1 TRICYCLIC COMPOUND AND USE THEREOF GPR65, GPR119, GPR35 NOTUM 1257/4885ALDH1A1 2066/4885EGFR 2103/4885

“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.