SCHEMBL10076286

SCHEMBL10076286

CCc1cnc(C)c(O)c1CO

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.79
ALDH1A1 P00352 3/20 0.79
HPGD P15428 3/20 0.79
HSD17B10 Q99714 1/20 0.79
LMNA P02545 3/20 0.61
PDXK O00764 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
AOX1 Q06278 1/20 0.54
TRIM24 O15164 1/20 0.53
TRIM33 Q9UPN9 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
HIF1A Q16665 1/20 0.52
GAA P10253 2/20 0.42
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
ESR1 P03372 1/20 0.39

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
Pyridoxine SCHEMBL3761205 0.89 KDM4E (0.92) KDM4EALDH1A1HPGDHSD17B10LMNA
Pyridoxine SCHEMBL30877002 0.88 HPGD (1.00) KDM4EALDH1A1HPGDHSD17B10LMNA
Pyridoxine SCHEMBL30267871 0.88 HPGD (1.00) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL13498731 0.88 KDM4E (0.60) KDM4EALDH1A1HPGDHSD17B10LMNA
Pyridoxine SCHEMBL3506 0.88 HPGD (1.00) KDM4EALDH1A1HPGDHSD17B10LMNA
Pyridoxine SCHEMBL2322958 0.88 HPGD (1.00) KDM4EALDH1A1HPGDHSD17B10LMNA
Pyridoxine SCHEMBL28805884 0.87 KDM4E (0.89) KDM4EALDH1A1HPGDHSD17B10LMNA
Pyridoxine SCHEMBL28837806 0.87 KDM4E (0.89) KDM4EALDH1A1HPGDHSD17B10LMNA
Pyridoxine SCHEMBL26097027 0.87 KDM4E (0.89) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL11074402 0.87 KDM4E (0.76) KDM4EALDH1A1HPGDHSD17B10LMNA

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
WO-2017090007-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF UREA CYCLE DISORDERS AND HEPATIC DISEASES RAO M SURYA (IN) 2017-06-01 WO disclosed
US-20170073345-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DIABETES AND PRE-DIABETES ALAPATI MOHAN MURALI (IN) 2017-03-16 US disclosed
WO-2014122621-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC CONDITIONS AND NEUROMUSCULAR DISEASES KANDULA MAHESH (IN) 2014-08-14 WO disclosed
WO-2014115098-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEUROLOGICAL DISEASES AND INFLAMMATION KANDULA MAHESH (IN) 2014-07-31 WO disclosed
WO-2014091465-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC SYNDROME AND LIPID DISORDERS KANDULA MAHESH (IN) 2014-06-19 WO disclosed
WO-2014091467-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF AUTOIMMUNE DISEASES AND INFLAMMATION KANDULA MAHESH (IN) 2014-06-19 WO disclosed
US-8093231-B2 Sulfonylethyl phosphorodiamidates TELIK, INC. (US) 2012-01-10 US disclosed
US-20080039429-A1 SULFONYLETHYL PHOSPHORODIAMIDATES TELIK, INC. 2008-02-14 US disclosed
US-7262182-B2 Sulfonylethyl phosphorodiamidates TELIK, INC. (US) 2007-08-28 US disclosed
US-4144342-A ANTIARTHRITIC AND ANTIINFLAMMATORY AGENTS MERCK & CO., INC. (US) 1979-03-13 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 (2 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-20170073345-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DIABETES AND PRE-DIABETES DPP4, SLC5A1, SLC5A2 KDM4E 3628/4885ALDH1A1 1969/4885HPGD 2169/4885
US-20080039429-A1 SULFONYLETHYL PHOSPHORODIAMIDATES MTAP, TYMP, PHOSPHO1 KDM4E 958/4885ALDH1A1 4455/4885HPGD 4123/4885

“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.