SCHEMBL506187

SCHEMBL506187

O=C(O)c1ccc(CBr)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
RARB P10826 3/20 0.46
RARA P10276 2/20 0.46
RARG P13631 1/20 0.46
RXRA P19793 3/20 0.44
RXRB P28702 2/20 0.43
RXRG P48443 2/20 0.43
CXCR3 P49682 2/20 0.42
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
KLKB1 P03952 1/20 0.41
CTSB P07858 1/20 0.41
MMP9 P14780 1/20 0.41
DNMT1 P26358 1/20 0.41
DNMT3B Q9UBC3 1/20 0.41
DNMT3L Q9UJW3 1/20 0.41
DNMT3A Q9Y6K1 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CDC25B P30305 1/20 0.40

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
Acetic Acid SCHEMBL28404737 0.94 EPHX2 (0.47) EPHX2NR1H4RARBRARARARG
SCHEMBL30851337 0.86 MRGPRX4 (0.50) CES2CES1KLKB1CTSBMMP9
SCHEMBL13622151 0.86 MRGPRX4 (0.50) CES2CES1KLKB1CTSBMMP9
SCHEMBL4048132 0.85 MAOB (0.53) EPHX2NR1H4RARBRARARARG
SCHEMBL27801899 0.85 RARB (0.48) EPHX2NR1H4RARBRARARARG
SCHEMBL16066498 0.85 ALDH1A1 (0.47) EPHX2NR1H4RARBRARARARG
SCHEMBL2857663 0.83 KLKB1 (0.48) CES2CES1KLKB1CTSBMMP9
SCHEMBL2838032 0.82 IDO1 (0.39) EPHX2NR1H4RARBRARARARG
SCHEMBL542783 0.82 PRKAB2 (0.49) EPHX2NR1H4RARBRARARARG
SCHEMBL20542375 0.80 GAA (0.51) EPHX2NR1H4RXRAALDH1A1CYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12162864-B2 Condensed-cyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-12-10 US disclosed
US-12024505-B2 Heterocyclic compounds useful as modulators of acetylcholine receptors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-07-02 US disclosed
US-12012419-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-06-18 US disclosed
CN-112752760-B Heterocyclic compounds 武田药品工业株式会社 2024-01-19 CN disclosed
US-20230303541-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF ACETYLCHOLINE RECEPTORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-09-28 US disclosed
US-11560372-B2 Heterocyclic compounds useful as modulators of acetylcholine receptors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-01-24 US disclosed
CN-113402466-B Apaglucone intermediate and method for preparing apalone 南京方生和医药科技有限公司 2022-08-16 CN disclosed
EP-3612527-B1 HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF ACETYLCHOLINE RECEPTORS TAKEDA PHARMACEUTICALS CO (JP) 2022-07-20 EP disclosed
US-20210347786-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-11-11 US disclosed
US-20210292308-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF ACETYLCHOLINE RECEPTORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-09-23 US disclosed
US-20110015240-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2011-01-20 US disclosed
US-20110015240-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2011-01-20 US disclosed
EP-2252604-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-Tech Ueno, Ltd. (JP) 2010-11-24 EP disclosed
EP-2162442-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS Theravance, Inc. (US) 2010-03-17 EP disclosed
WO-2009096609-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2009-08-06 WO disclosed
WO-2008153857-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2008-12-18 WO disclosed
US-6583126-B2 Treating diabetes, obesity, and diabetes-related diseases. MERCK EROSST CANADA & CO. 2003-06-24 US disclosed
EP-1242432-A1 PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) MERCK FROSST CANADA INC. (CA) 2002-09-25 EP disclosed
US-20020052344-A1 Phosphonic acid derivatives as inhibitors of protein tyrosine phosphatase IB (PTP-IB) MERCK FROSST CANADA LTD. (CA) 2002-05-02 US disclosed
WO-2001046205-A1 PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) MERCK FROSST CANADA & CO. (CA) 2001-06-28 WO 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 (9 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-20020052344-A1 Phosphonic acid derivatives as inhibitors of protein tyrosine phosphatase IB (PTP-IB) PTPRO, PTPRC, PPM1B EPHX2 2077/4885NR1H4 2405/4885RARB 1716/4885
US-20110015240-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR VAPB, TAS1R1, VAPA EPHX2 4416/4885NR1H4 2399/4885RARB 791/4885
US-12024505-B2 Heterocyclic compounds useful as modulators of acetylcholine receptors CHRM3, CHRNA1, CHRM5 EPHX2 1159/4885NR1H4 98/4885RARB 1182/4885
US-20210347786-A1 HETEROCYCLIC COMPOUND SLC10A2, ALPI, SLC10A1 EPHX2 634/4885NR1H4 56/4885RARB 2915/4885
US-12012419-B2 Heterocyclic compound SLC10A2, ALPI, SLC10A1 EPHX2 634/4885NR1H4 56/4885RARB 2915/4885
US-20230303541-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF ACETYLCHOLINE RECEPTORS CHRM3, CHRNA1, CHRM5 EPHX2 1159/4885NR1H4 98/4885RARB 1182/4885
US-12162864-B2 Condensed-cyclic compound SLC10A2, VIP, AVPR2 EPHX2 2025/4885NR1H4 93/4885RARB 3462/4885
US-20210292308-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF ACETYLCHOLINE RECEPTORS CHRM3, CHRNA1, CHRM5 EPHX2 1208/4885NR1H4 88/4885RARB 1153/4885
US-11560372-B2 Heterocyclic compounds useful as modulators of acetylcholine receptors CHRM3, CHRNA1, CHRM5 EPHX2 1208/4885NR1H4 88/4885RARB 1153/4885

“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.