SCHEMBL597113

SCHEMBL597113

Nc1ccc2c(c1)B(O)OC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 1.00
CA2 P00918 8/20 1.00
CA9 Q16790 7/20 1.00
CA12 O43570 6/20 1.00
CA4 P22748 4/20 0.57
CA7 P43166 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
SCHEMBL29523041 1.00 CA1 (1.00) CA1CA2CA9CA12CA4
Hydrochloric Acid SCHEMBL1164812 0.98 CA1 (0.96) CA1CA2CA9CA12CA4
SCHEMBL11886709 0.85 CA1 (0.73) CA1CA2CA9CA12CA4
SCHEMBL2279747 0.82 CA1 (0.69) CA1CA2CA9CA12CA4
SCHEMBL3475067 0.82 KLK1 (0.69) CA1CA2CA9CA12
SCHEMBL12317636 0.81 CA1 (0.69) CA1CA2CA9CA12CA4
Hydrochloric Acid SCHEMBL2287113 0.81 CA1 (0.67) CA1CA2CA9CA12CA4
Hydrochloric Acid SCHEMBL19838208 0.80 CA1 (0.67) CA1CA2CA9CA12CA4
SCHEMBL1135299 0.80 CA12 (0.65) CA1CA2CA9CA12
SCHEMBL1135328 0.78 CA1 (0.65) CA1CA2CA9CA12CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116120641-A Synthesis method of multifunctional composite hydrogel for promoting diabetic wound repair 深圳市人民医院 2023-05-16 CN claimed
CN-113209375-B Preparation method and application of hydrogel based on arylborate crosslinking and having self-repairing and injectable properties 温州医科大学 2023-01-06 CN claimed
US-20260008791-A1 CHEMICAL COMPOUNDS BORAH INC (US) 2026-01-08 US disclosed
WO-2025235840-A1 ECHINOCANDIN-LIKE AND BORON-CONTAINING ECHINOCANDIN COMPOUNDS AND THEIR USE AS AGROCHEMICAL FUNGICIDES 5METIS, INC. (US) 2025-11-13 WO disclosed
US-12358932-B2 Chemical compounds BORAH, INC. (US) 2025-07-15 US disclosed
US-12264169-B2 Heteroaryl inhibitors of PDE4 Tetra Discovery Partners (US) 2025-04-01 US disclosed
US-20240368196-A1 CHEMICAL COMPOUNDS BORAH, INC. 2024-11-07 US disclosed
US-20240358728-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, LLC (US) 2024-10-31 US disclosed
CN-114292274-B Pyrrolo [2,3-d ] pyrimidine derivatives as JAK kinase inhibitors, and preparation method and application thereof 中国药科大学 2023-12-19 CN disclosed
US-11834466-B2 Benzoxaborole compounds and formulations thereof 5METIS, INC. (US) 2023-12-05 US disclosed
US-11834466-B2 Benzoxaborole compounds and formulations thereof 5METIS, INC. (US) 2023-12-05 US disclosed
WO-2007078340-A2 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2007-07-12 WO disclosed
US-20070155699-A1 Boron-containing small molecules ANACOR PHARMACEUTICALS (US) 2007-07-05 US disclosed
US-20070155699-A1 Boron-containing small molecules ANACOR PHARMACEUTICALS (US) 2007-07-05 US disclosed
US-20070155699-A1 Boron-containing small molecules ANACOR PHARMACEUTICALS (US) 2007-07-05 US disclosed
WO-2006079843-A1 SENSOR MOLECULES INCORPORATING A BORONIC ACID SENSOR GROUP CAMBRIDGE ENTERPRISE LIMITED (GB) 2006-08-03 WO disclosed
CN-1068005-C Oxaboroles and salts thereof, and thire use as biocides ZENECA LTD (GB) 2001-07-04 CN disclosed
EP-0765331-B1 OXABOROLES AND SALTS THEREOF, AND THEIR USE AS BIOCIDES AVECIA LTD (GB) 2000-08-09 EP disclosed
US-5880188-A PROTECTING MEDIUM SUSCEPTIBLE TO MICROBIAL ATTACK BY TREATING WITH SPECIFIED OXABOROLE COMPOUND ZENECA LIMITED (GB) 1999-03-09 US disclosed
CN-1155286-A Oxaboroles and salts thereof, and thire use as biocides ZENECA LTD (GB) 1997-07-23 CN 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 (7 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-20260008791-A1 CHEMICAL COMPOUNDS JAK3, JAK2, JAK1 CA1 2589/4885CA2 835/4885CA9 1242/4885
US-20240358728-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA CA1 1683/4885CA2 773/4885CA9 931/4885
US-20240368196-A1 CHEMICAL COMPOUNDS PDE4A, PDE4B, SYK CA1 4260/4885CA2 1841/4885CA9 1766/4885
US-11834466-B2 Benzoxaborole compounds and formulations thereof SSB, NONO, LRBA CA1 3230/4885CA2 1593/4885CA9 2411/4885
US-20070155699-A1 Boron-containing small molecules ETF1, POLR1C, DPM1 CA1 4091/4885CA2 1368/4885CA9 980/4885
US-12264169-B2 Heteroaryl inhibitors of PDE4 PDE4A, PDE4B, PDE4C CA1 4346/4885CA2 2235/4885CA9 2390/4885
US-12358932-B2 Chemical compounds PDE4A, PDE4B, SYK CA1 4260/4885CA2 1841/4885CA9 1766/4885

“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.