SCHEMBL500368

SCHEMBL500368

OCc1ccc2c(c1)COB2O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.59
CA2 P00918 4/20 0.59
PDE3A Q14432 2/20 0.59
PDE4B Q07343 11/20 0.50
PDE4A P27815 9/20 0.50
PDE4C Q08493 9/20 0.50
PDE4D Q08499 9/20 0.50
KLK5 Q9Y337 1/20 0.48
CA9 Q16790 2/20 0.46
CA12 O43570 1/20 0.46
CHRM1 P11229 1/20 0.46
ADRA1A P35348 1/20 0.46
PDE1A P54750 1/20 0.46
PDE3B Q13370 1/20 0.46
PDE7A Q13946 1/20 0.46
CA4 P22748 1/20 0.43
CA7 P43166 1/20 0.43

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
SCHEMBL5583511 1.00 CA1 (0.59) CA1CA2PDE3APDE4BPDE4A
SCHEMBL5583512 0.87 CA1 (0.47) CA1CA2PDE3APDE4BPDE4A
SCHEMBL12375128 0.86 CA1 (0.59) CA1CA2KLK5CA9CA12
SCHEMBL12475434 0.84 CA1 (0.57) CA1CA2PDE3APDE4BPDE4A
SCHEMBL21821453 0.84 CA1 (0.56) CA1CA2PDE3APDE4BPDE4A
SCHEMBL14363857 0.84 CA1 (0.57) CA1CA2PDE3APDE4BPDE4A
SCHEMBL19605204 0.84 CA1 (0.57) CA1CA2PDE3APDE4BPDE4A
SCHEMBL2527455 0.83 PDE4B (0.72) PDE3APDE4BPDE4APDE4CPDE4D
SCHEMBL24478342 0.81 CA1 (0.54) CA1CA2PDE3APDE4BPDE4A
SCHEMBL15981495 0.81 CA1 (0.54) CA1CA2PDE3APDE4BPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101914109-B Boron-containing small molecules ANACOR PHARMACEUTICALS INC 2014-07-23 CN claimed
US-11999758-B2 Inhibitors of the YAP/TAZ-TEAD interaction and their use in the treatment of cancer INVENTIVA (FR) 2024-06-04 US disclosed
US-20230008130-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2023-01-12 US disclosed
EP-3860990-B1 INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF CANCER INVENTIVA (FR) 2022-09-14 EP disclosed
US-20220056052-A1 QUINAZOLINE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC 2022-02-24 US disclosed
EP-3902787-A1 QUINAZOLINE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS Riboscience LLC (US) 2021-11-03 EP disclosed
US-20210323982-A1 INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF CANCER INVENTIVA (FR) 2021-10-21 US disclosed
US-20210323982-A1 INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF CANCER INVENTIVA (FR) 2021-10-21 US disclosed
EP-3860990-A1 INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF CANCER Inventiva (FR) 2021-08-11 EP disclosed
EP-3424932-B1 BORONOPHTHALIDES FOR THERAPEUTIC USE ANACOR PHARMACEUTICALS INC (US) 2021-04-07 EP disclosed
US-7582621-B2 Topically treating ungal and periungal infections of the nails, hoofs and claws of mammals by treating with 1-hydroxy-5-fluoro-1,3-dihydro-2,1-benzoxyborole; effectively penetrates the nail; onychomycosis; tinea unguium; fungicides; viricides; bactericides; parasiticides; yeast; microbiocides ANACOR PHARMACEUTICALS, INC. (US) 2009-09-01 US disclosed
CN-101420854-A Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS INC (US) 2009-04-29 CN disclosed
EP-2044091-A2 COMPOUNDS FOR THE TREATMENT OF PERIODONTAL DISEASE Anacor Pharmaceuticals, Inc. (US) 2009-04-08 EP disclosed
EP-1976536-A2 BORON-CONTAINING SMALL MOLECULES Anacor Pharmaceuticals, Inc. (US) 2008-10-08 EP disclosed
WO-2007146965-A2 COMPOUNDS FOR THE TREATMENT OF PERIODONTAL DISEASE ANACOR PHARMACEUTICALS, INC. (US) 2007-12-21 WO disclosed
US-20070293457-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, LLC 2007-12-20 US disclosed
US-20070286822-A1 Compounds for the Treatment of Periodontal Disease ANACOR PHARMACEUTICALS INC. (US) 2007-12-13 US disclosed
US-20070265226-A1 Hydrolytically-Resistant Boron-Containing Therapeutics And Methods Of Use ANACOR PHARMACEUTICALS (US) 2007-11-15 US disclosed
WO-2007078340-A2 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2007-07-12 WO disclosed
US-20060234981-A1 Boron-containing small molecules ANACOR PHARMACEUTICALS (US) 2006-10-19 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-20060234981-A1 Boron-containing small molecules ETF1, POLR1C, DPM1 CA1 4091/4885CA2 1368/4885PDE3A 4505/4885
US-20070286822-A1 Compounds for the Treatment of Periodontal Disease BPGM, HMBS, PPIP5K2 CA1 3204/4885CA2 1752/4885PDE3A 441/4885
US-20210323982-A1 INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF CANCER YAP1, TEAD2, YES1 CA1 4802/4885CA2 3706/4885PDE3A 3554/4885
US-20230008130-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA CA1 1683/4885CA2 773/4885PDE3A 1798/4885
US-11999758-B2 Inhibitors of the YAP/TAZ-TEAD interaction and their use in the treatment of cancer YAP1, TEAD2, YES1 CA1 4802/4885CA2 3706/4885PDE3A 3554/4885
US-20070293457-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, TNF CA1 1986/4885CA2 886/4885PDE3A 1851/4885
US-20070265226-A1 Hydrolytically-Resistant Boron-Containing Therapeutics And Methods Of Use GAA, BTD, MANBA CA1 838/4885CA2 535/4885PDE3A 3530/4885
US-20220056052-A1 QUINAZOLINE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS ENPP1, ENPP3, PDE7A CA1 4692/4885CA2 3329/4885PDE3A 12/4885

“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.