SCHEMBL6031059

SCHEMBL6031059

COc1ccc2c(C(C)=O)cc(=O)oc2c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.78
▸ CA1 P00915 1/20 0.78
▸ CA2 P00918 1/20 0.78
▸ CA3 P07451 1/20 0.78
▸ CA4 P22748 1/20 0.78
▸ CA5A P35218 1/20 0.78
▸ CA7 P43166 1/20 0.78
▸ CA9 Q16790 1/20 0.78
▸ CA14 Q9ULX7 1/20 0.78
▸ CA5B Q9Y2D0 1/20 0.78
▸ KDM4E B2RXH2 9/20 0.63
▸ ALDH1A1 P00352 9/20 0.63
▸ HPGD P15428 4/20 0.63
▸ HSD17B10 Q99714 1/20 0.63
▸ LCK P06239 1/20 0.60
▸ GAA P10253 2/20 0.57
▸ MAOB P27338 1/20 0.57
▸ CYP2D6 P10635 2/20 0.56
▸ CDC25A P30304 2/20 0.54
▸ CDC25C P30307 2/20 0.54

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
SCHEMBL28878363 0.88 CA12 (1.00) CA12CA1CA2CA3CA4
SCHEMBL6030326 0.84 CA12 (0.68) CA12CA1CA2CA3CA4
SCHEMBL6030323 0.84 CA12 (0.68) CA12CA1CA2CA3CA4
SCHEMBL28546496 0.84 CA12 (0.72) CA12CA1CA2CA3CA4
SCHEMBL6029898 0.83 CA12 (0.67) CA12CA1CA2CA3CA4
SCHEMBL15842416 0.80 CA9 (0.50) CA12CA1CA2CA3CA4
SCHEMBL3055094 0.80 HSD17B3 (0.63) CA12CA9KDM4EALDH1A1HPGD
SCHEMBL3911979 0.80 KDM4E (0.69) CA12CA1CA2CA3CA4
SCHEMBL246219 0.79 KDM4E (0.62) CA12CA1CA2CA3CA4
SCHEMBL14424527 0.79 KDM4E (0.73) CA12CA1CA2CA3CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250074942-A1 COMPOSITIONS AND METHODS FOR COVALENT PEPTIDE-BASED MODULATORS OF HLA-E CALICO LIFE SCIENCES LLC (US) 2025-03-06 — — US disclosed
US-20100048604-A1 Ligands for Aldoketoreductases TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2010-02-25 — — US disclosed
US-20100048604-A1 Ligands for Aldoketoreductases TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2010-02-25 — — US disclosed
US-20060105458-A1 Caged tetracycline (derivatives), their generation, and their use for photoactivated gene expression MAX-PLANCK-GESELLSCHAFT ZUR FODERUNG DER WISSENSCHAFTEN E.V. (DE) 2006-05-18 — — US disclosed
US-20050267102-A1 Inhibition of matrix metalloproteases by substituted biaryl oxobutyric acids BAYER PHARMACEUTICALS CORPORATION (US) 2005-12-01 — — US disclosed
US-6911449-B2 Inhibition of matrix metalloproteases by substituted biaryl oxobutyric acids BAYER PHARMACEUTICALS CORPORATION (US) 2005-06-28 — — US disclosed
EP-1534839-A1 CAGED TETRACYCLINE (DERIVATIVES), THEIR GENERATION, AND THEIR USE FOR PHOTOACTIVATED GENE EXPRESSION Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2005-06-01 — — EP disclosed
EP-0923530-B1 INHIBITION OF MATRIX METALLOPROTEASES BY SUBSTITUTED BIARYL OXOBUTYRIC ACIDS BAYER AG (US) 2004-09-01 — — EP disclosed
US-6762184-B2 RHEUMATIC DISEASES; ORAL ISEASES; VISION DEFECTS; ANTIINFLAMMATORY AGENTS BAYER PHARMACEUTICALS CORPORATION 2004-07-13 — — US disclosed
US-20040127500-A1 Inhibition of matrix metalloproteases by substituted biaryl oxobutyric acids BAYER PHARMACEUTICALS CORPORATION 2004-07-01 — — US disclosed
US-5932577-A OSTEOPOROSIS; ANTIARTHRITIC AGENTS; ANTIINFLAMMATORY AGENTS;NERVOUS SYSTEM DISORDERS; ANTITUMOR AGENTS; CARDIOVASCULAR DISORDERSANTITUMOR AGENTSD BAYER CORPORATION (US) 1999-08-03 — — US disclosed
US-5932763-A Inhibition of matrix metalloproteases by 2-(ω-arolalkyl)-4-biaryl-4-oxobutyric acids BAYER CORPORATION (US) 1999-08-03 — — US disclosed
US-5925637-A ENZYME INHIBITORS AS ANTIARTHRITIC AGENTS OR CARDIOVASCULAR DISORDERS BAYER CORPORATION (US) 1999-07-20 — — US disclosed
EP-0923529-A1 SUBSITUTE 4-ARYLBUTYRIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITORS Bayer Corporation (US) 1999-06-23 — — EP disclosed
EP-0907632-A1 INHIBITION OF MATRIX METALLOPROTEASES BY SUBSTITUTED PHENETHYL COMPOUNDS Bayer Corporation (US) 1999-04-14 — — EP disclosed
US-5863915-A ENZYME INHIBITORS FOR BONES AND JOINTS BAYER CORPORATION (US) 1999-01-26 — — US disclosed
US-5804581-A ADMINISTERING ENZYME INHIBITOR TO TREAT OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, SEPTIC ARTHRITIS, PERIODONTAL DISORDERS, CORNEAL ULCERATION, PROTEINURIA, OSTEOPENIAS, DYSTROPHY, CORONARY THROMBOSIS, TUMOR METASTASIS AND BULLOSA BAYER CORPORATION (US) 1998-09-08 — — US disclosed
WO-1998022436-A1 SUBSTITUTED 4-BIPHENYL-4-HYDROXYBUTYRIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITORS BAYER CORPORATION (US) 1998-05-28 — — WO disclosed
WO-1997043247-A1 INHIBITION OF MATRIX METALLOPROTEASES BY SUBSTITUTED PHENETHYL COMPOUNDS BAYER CORPORATION (US) 1997-11-20 — — WO disclosed
WO-1997043237-A1 SUBSITUTE 4-ARYLBUTYRIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITORS BAYER CORPORATION (US) 1997-11-20 — — 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 (5 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-20040127500-A1 Inhibition of matrix metalloproteases by substituted biaryl oxobutyric acids ADAMTS5, ADAMTS1, MMP26 CA12 580/4885CA1 250/4885CA2 178/4885
US-20100048604-A1 Ligands for Aldoketoreductases AKR1C2, AKR1C1, AKR1B1 CA12 4661/4885CA1 4678/4885CA2 4465/4885
US-20060105458-A1 Caged tetracycline (derivatives), their generation, and their use for photoactivated gene expression TET1, TEAD2, MYC CA12 4516/4885CA1 4413/4885CA2 3812/4885
US-20050267102-A1 Inhibition of matrix metalloproteases by substituted biaryl oxobutyric acids MMP20, ADAMTS5, MMP10 CA12 477/4885CA1 250/4885CA2 180/4885
US-20250074942-A1 COMPOSITIONS AND METHODS FOR COVALENT PEPTIDE-BASED MODULATORS OF HLA-E MICA, CD74, HLA-DRB1 CA12 2098/4885CA1 2450/4885CA2 3905/4885

“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.

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