SCHEMBL811550

SCHEMBL811550

O=C(O)CC(CC(=O)OC(=O)c1cccnc1)(OO)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
LMNA P02545 5/20 0.49
TDP1 Q9NUW8 3/20 0.49
ALDH1A1 P00352 5/20 0.46
MAPK1 P28482 1/20 0.45
KDM4E B2RXH2 1/20 0.43
GAA P10253 2/20 0.43
APP P05067 1/20 0.43
HCAR3 P49019 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
F7 P08709 1/20 0.42
F3 P13726 1/20 0.42
SARM1 Q6SZW1 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
SIRT6 Q8N6T7 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
SIRT3 Q9NTG7 1/20 0.42
SIRT5 Q9NXA8 1/20 0.42
SIRT4 Q9Y6E7 1/20 0.42

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
SCHEMBL5465559 0.90 ALDH1A1 (0.54) KMT2ALMNATDP1ALDH1A1MAPK1
SCHEMBL5456727 0.86 KMT2A (0.62) KMT2ALMNATDP1ALDH1A1MAPK1
SCHEMBL10608648 0.82 KMT2A (0.49) KMT2ALMNATDP1ALDH1A1MAPK1
Potassium Ion SCHEMBL5458856 0.80 ALDH1A1 (0.43) KMT2ALMNATDP1ALDH1A1MAPK1
SCHEMBL9696292 0.78 ALDH1A1 (0.60) KMT2ALMNATDP1ALDH1A1MAPK1
SCHEMBL25346540 0.76 ALDH1A1 (0.54) KMT2ALMNATDP1ALDH1A1GAA
SCHEMBL5449917 0.76 L3MBTL1 (0.40) KMT2ALMNAALDH1A1KDM4EGAA
SCHEMBL3978084 0.76 L3MBTL1 (0.40) KMT2ALMNAALDH1A1KDM4EGAA
SCHEMBL9696285 0.76 ALDH1A1 (0.66) KMT2ALMNATDP1ALDH1A1MAPK1
SCHEMBL28308152 0.75 KMT2A (0.52) KMT2ALMNATDP1ALDH1A1MAPK1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070031526-A1 Topical Deodorant Compositions Based on Hydroxycitric Acid BIODERM RESEARCH (US) 2007-02-08 US claimed
US-20040081672-A1 Niacinamide, niacin, and niacin esters based delivery systems for treating topical disorders of skin and skin aging GUPTA SHYAM K (US) 2004-04-29 US claimed
US-20160220536-A1 USE OF PHENYLMETHIMAZOLES, METHIMAZOLE DERIVATIVES, AND TAUTOMERIC CYCLIC THIONES FOR THE TREATMENT OF AUTOIMMUNE/INFLAMMATORY DISEASES ASSOCIATED WITH TOLL-LIKE RECEPTOR OVEREXPRESSION UNIV OHIO (US) 2016-08-04 US disclosed
US-9326972-B2 Use of phenylmethimazoles, methimazole derivatives, and tautomeric cyclic thiones for the treatment of autoimmune/inflammatory diseases associated with toll-like receptor overexpression OHIO UNIVERSITY (US) 2016-05-03 US disclosed
US-20120238610-A1 Use of phenylmethimazoles, methimazole derivatives, and tautomeric cyclic thiones for the treatment of autoimmune/inflammatory diseases associated with toll-like receptor overexpression OHIO UNIVERSITY 2012-09-20 US disclosed
EP-2399578-A1 Methods and compositions for the treatment of autoimmune and inflammatory diseases associated with toll-like receptors The Interthyr Corporation (US) 2011-12-28 EP disclosed
US-20100004304-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF MALIGNANT MELANOMA, BREAST, PROSTATE, COLON, PAPILLARY THYROID AND PANCREATIC CANCER OHIO UNIVERSITY 2010-01-07 US disclosed
EP-1896015-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES ASSOCIATED WITH TOLL-LIKE RECEPTORS The Interthyr Corporation (US) 2008-03-12 EP disclosed
WO-2006124676-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES ASSOCIATED WITH TOLL-LIKE RECEPTORS THE INTERTHYR CORPORATION (US) 2006-11-23 WO disclosed
US-20060211752-A1 Use of phenylmethimazoles, methimazole derivatives, and tautomeric cyclic thiones for the treatment of autoimmune/inflammatory diseases associated with toll-like receptor overexpression BENAVIDES-PERALTA, URUGUAYSITO LORELEY (UY) 2006-09-21 US disclosed
US-20060147508-A1 Concurrent Enhancement of Skin Penetration of Organic Base Active Agents and Organic Hydroxy Acid Active Agents as Their Ion-Pair Complexes BIODERM RESEARCH (US) 2006-07-06 US disclosed
US-20040228884-A1 Ion-pair delivery system for cosmetic and pharmaceutical compositions GUPTA SHYAM K (US) 2004-11-18 US disclosed
US-20040081672-A1 Niacinamide, niacin, and niacin esters based delivery systems for treating topical disorders of skin and skin aging GUPTA SHYAM K (US) 2004-04-29 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 (4 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-20060211752-A1 Use of phenylmethimazoles, methimazole derivatives, and tautomeric cyclic thiones for the treatment of autoimmune/inflammatory diseases associated with toll-like receptor overexpression TLR3, IRF3, TLR4 KMT2A 2358/4885LMNA 4799/4885TDP1 1417/4885
US-20120238610-A1 Use of phenylmethimazoles, methimazole derivatives, and tautomeric cyclic thiones for the treatment of autoimmune/inflammatory diseases associated with toll-like receptor overexpression IRF3, TLR3, TLR4 KMT2A 2589/4885LMNA 4804/4885TDP1 868/4885
US-20160220536-A1 USE OF PHENYLMETHIMAZOLES, METHIMAZOLE DERIVATIVES, AND TAUTOMERIC CYCLIC THIONES FOR THE TREATMENT OF AUTOIMMUNE/INFLAMMATORY DISEASES ASSOCIATED WITH TOLL-LIKE RECEPTOR OVEREXPRESSION IRF3, TLR3, TLR4 KMT2A 2589/4885LMNA 4804/4885TDP1 868/4885
US-20100004304-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF MALIGNANT MELANOMA, BREAST, PROSTATE, COLON, PAPILLARY THYROID AND PANCREATIC CANCER STAT3, STAT6, TLR3 KMT2A 3831/4885LMNA 4674/4885TDP1 3839/4885

“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.