SCHEMBL456808

SCHEMBL456808

OCc1cc(F)ccc1B(O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.39
CXCR1 P25024 1/20 0.39
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
ORAI1 Q96D31 1/20 0.33
ORAI2 Q96SN7 1/20 0.33
ORAI3 Q9BRQ5 1/20 0.33
TRPV6 Q9H1D0 1/20 0.33
ENPP2 Q13822 1/20 0.33
LIPG Q9Y5X9 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
CA3 P07451 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32

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
SCHEMBL29519062 1.00 CXCR2 (0.39) CXCR2CXCR1SLC6A2SLC6A4ORAI1
SCHEMBL15780079 0.83 CXCR1 (0.41) CXCR2CXCR1LIPGSMN1; SMN2RIPK1
SCHEMBL902030 0.83 IDO1 (0.34) SLC6A2SLC6A4ORAI1ORAI2ORAI3
SCHEMBL8232422 0.82 ORAI1 (0.34) SLC6A2SLC6A4ORAI1ORAI2ORAI3
SCHEMBL9938058 0.82 MPO (0.41) CXCR2CXCR1SLC6A2SLC6A4ENPP2
SCHEMBL19150350 0.82 CXCR1 (0.38) CXCR2CXCR1SLC6A2SLC6A4ORAI1
Hydrochloric Acid SCHEMBL3769431 0.80 MPO (0.40) CXCR2CXCR1SLC6A2SLC6A4
SCHEMBL23865223 0.80
SCHEMBL10172299 0.80 ORAI1 (0.32) ORAI1ORAI2ORAI3TRPV6
SCHEMBL19976019 0.79 CXCR1 (0.36) CXCR2CXCR1ORAI1ORAI2ORAI3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116715692-A Application of oxaborane compound in prevention and treatment of plant diseases 广西田园生化股份有限公司 2023-09-08 CN claimed
CN-114933607-A Preparation method of 4-fluoro-2-hydroxymethyl phenylboronic acid and cliborole 山东诺明康药物研究院有限公司 2022-08-23 CN claimed
US-20240352023-A1 IMIDAZOPYRIMIDINE AND IMIDAZOTRIAZINE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SK BIOPHARMACEUTICALS CO., LTD. (KR) 2024-10-24 US disclosed
US-20240336594-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2024-10-10 US disclosed
US-12037338-B2 Imidazopyrimidine and imidazotriazine derivative, and pharmaceutical composition comprising the same SK BIOPHARMACEUTICALS CO., LTD. (KR) 2024-07-16 US disclosed
EP-4368618-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF Betta Pharmaceuticals Co., Ltd (CN) 2024-05-15 EP disclosed
CN-117715898-A Six-membered aryl or heteroaryl amide compound, composition and application thereof 贝达药业股份有限公司 2024-03-15 CN disclosed
EP-3842436-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING IMIDAZOPYRIMIDINE OR IMIDAZOTRIAZINE DERIVATIVES FOR USE IN THE TREATMENT OF SCHIZOPHRENIA SK BIOPHARMACEUTICALS CO LTD (KR) 2023-11-08 EP disclosed
EP-4257588-A1 SMALL MOLECULE INHIBITOR OF CATHEPSIN C AND MEDICINAL USE THEREOF Reistone Biopharma Company Limited (CN) 2023-10-11 EP disclosed
CN-116715692-A Application of oxaborane compound in prevention and treatment of plant diseases 广西田园生化股份有限公司 2023-09-08 CN disclosed
CN-116157405-A Cathepsin C small molecule inhibitor and medical application thereof 瑞石生物医药有限公司 2023-05-23 CN disclosed
US-20130059802-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2013-03-07 US disclosed
US-20130059803-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2013-03-07 US disclosed
US-20120289686-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-11-15 US disclosed
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO disclosed
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO disclosed
US-8115026-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2012-02-14 US disclosed
US-20100267981-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2010-10-21 US disclosed
US-7767657-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2010-08-03 US disclosed
US-20070155699-A1 Boron-containing small molecules ANACOR PHARMACEUTICALS (US) 2007-07-05 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 (8 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-20130059802-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 CXCR2 2765/4885CXCR1 2750/4885SLC6A2 786/4885
US-20240336594-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF MALT1, CYP51A1, BCR CXCR2 4513/4885CXCR1 3375/4885SLC6A2 4259/4885
US-20120289686-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 CXCR2 2765/4885CXCR1 2750/4885SLC6A2 786/4885
US-20130059803-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 CXCR2 2765/4885CXCR1 2750/4885SLC6A2 786/4885
US-20070155699-A1 Boron-containing small molecules ETF1, POLR1C, DPM1 CXCR2 2765/4885CXCR1 2750/4885SLC6A2 786/4885
US-20240352023-A1 IMIDAZOPYRIMIDINE AND IMIDAZOTRIAZINE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME GRM5, GRIK5, GRM1 CXCR2 1280/4885CXCR1 1942/4885SLC6A2 348/4885
US-20100267981-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 CXCR2 2765/4885CXCR1 2750/4885SLC6A2 786/4885
US-12037338-B2 Imidazopyrimidine and imidazotriazine derivative, and pharmaceutical composition comprising the same GRM5, GRIK5, GRM1 CXCR2 1280/4885CXCR1 1942/4885SLC6A2 348/4885

“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.