SCHEMBL810761

SCHEMBL810761

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

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 10/20 0.47
LMNA P02545 5/20 0.47
MEN1 O00255 5/20 0.47
TDP1 Q9NUW8 2/20 0.47
HPGD P15428 1/20 0.46
KDM4E B2RXH2 1/20 0.44
USP2 O75604 2/20 0.44
MAPT P10636 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 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
SCHEMBL810936 0.91 KMT2A (0.50) ALDH1A1L3MBTL1KMT2ALMNAMEN1
SCHEMBL811047 0.83 LMNA (0.66) ALDH1A1L3MBTL1KMT2ALMNAMEN1
Niacin SCHEMBL810760 0.80 ALDH1A1 (0.57) ALDH1A1L3MBTL1KMT2ALMNAMEN1
SCHEMBL9696285 0.80 ALDH1A1 (0.66) ALDH1A1L3MBTL1KMT2ALMNATDP1
SCHEMBL17895063 0.79 ALDH1A1 (0.66) ALDH1A1L3MBTL1KMT2ALMNAMEN1
SCHEMBL3751183 0.78 ALDH1A1 (0.74) ALDH1A1L3MBTL1KMT2ALMNAMEN1
SCHEMBL4996696 0.78 ALDH1A1 (0.64) ALDH1A1L3MBTL1KMT2ALMNATDP1
SCHEMBL21646168 0.77 ALDH1A1 (0.51) ALDH1A1L3MBTL1KMT2ALMNAMEN1
SCHEMBL21646165 0.77 ALDH1A1 (0.51) ALDH1A1L3MBTL1KMT2ALMNAMEN1
Hydrochloric Acid SCHEMBL27579225 0.77 ALDH1A1 (0.62) ALDH1A1L3MBTL1KMT2ALMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 ALDH1A1 3364/4885L3MBTL1 2262/4885KMT2A 2358/4885
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 ALDH1A1 3709/4885L3MBTL1 1992/4885KMT2A 2589/4885
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 ALDH1A1 3709/4885L3MBTL1 1992/4885KMT2A 2589/4885
US-20100004304-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF MALIGNANT MELANOMA, BREAST, PROSTATE, COLON, PAPILLARY THYROID AND PANCREATIC CANCER STAT3, STAT6, TLR3 ALDH1A1 2982/4885L3MBTL1 300/4885KMT2A 3831/4885

“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.