SCHEMBL12608293

SCHEMBL12608293

CCCC(=O)NC(C)(C)CC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
HPGD P15428 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
CTSD P07339 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
KDM4E B2RXH2 2/20 0.46
EPHX1 P07099 1/20 0.46
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
GRK2 P25098 1/20 0.39
CASP2 P42575 1/20 0.39
MAPT P10636 1/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL20440475 0.86 ALDH1A1 (0.64) ALDH1A1HPGDL3MBTL1KDM4EEPHX1
SCHEMBL619220 0.84 ALDH1A1 (0.55) ALDH1A1HPGDHDAC3HDAC1HDAC2
SCHEMBL5592299 0.83 ALDH1A1 (0.66) ALDH1A1L3MBTL1EPHX1MEN1KMT2A
SCHEMBL12335916 0.82 ALDH1A1 (0.48) ALDH1A1HPGDCTSDL3MBTL1KDM4E
SCHEMBL12955476 0.82 ALDH1A1 (0.48) ALDH1A1HPGDHDAC3HDAC1HDAC2
SCHEMBL23521530 0.82 ALDH1A1 (0.53) ALDH1A1HPGDL3MBTL1KDM4EEPHX1
SCHEMBL12363412 0.82 ALDH1A1 (0.53) ALDH1A1HPGDHDAC3HDAC1HDAC2
SCHEMBL13920753 0.82 ALDH1A1 (0.53) ALDH1A1HPGDHDAC3HDAC1HDAC2
SCHEMBL27855740 0.80 ALDH1A1 (0.52) ALDH1A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL10170 0.80 HDAC2 (0.52) ALDH1A1HPGDHDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9155760-B2 Method of prophylaxis of bacterial vaginosis STARPHARMA PTY LIMITED (AU) 2015-10-13 US disclosed
US-20120295839-A1 METHOD OF TREATMENT AND PROPHYLAXIS OF BACTERIAL VAGINOSIS STARPHARMA PTY LIMITED (AU) 2012-11-22 US disclosed
US-20110124624-A1 5-PHENYL-4-METHYL-THIAZOL-2-YL-AMINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL 3 KINASE ENZYMES (PI3) FOR THE TREATMENT OF INFLAMMATORY DISEASES NOVARTIS AG (CH) 2011-05-26 US disclosed
US-20110124693-A1 5-PHENYL-4-METHYL-THIAZOL-2-YL-AMINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL 3 KINASE ENZYMES (PI3) FOR THE TREATMENT OF INFLAMMATORY DISEASES NOVARTIS AG (CH) 2011-05-26 US disclosed
US-7902375-B2 Antiallergens; antiarthritic agents; psoriasis; inflammatory bowel disorders; Crohn's disease; sepsis ; antiproliferative agents; anticancer agents; transplant rejection; stroke; antidiabetic agents; restenosis NOVARTIS AG (CH) 2011-03-08 US disclosed
US-7902375-B2 Antiallergens; antiarthritic agents; psoriasis; inflammatory bowel disorders; Crohn's disease; sepsis ; antiproliferative agents; anticancer agents; transplant rejection; stroke; antidiabetic agents; restenosis NOVARTIS AG (CH) 2011-03-08 US disclosed
US-20080280871-A1 5-Phenyl-4-Methyl-Thiazol-2-Yl-Amine Derivatives as Inhibitors of Phosphatidylin Ositol 3 Kinase Enzymes (PI13) For Treatment of Inflammatory Diseases NOVARTIS AG (CH) 2008-11-13 US disclosed
US-20080280871-A1 5-Phenyl-4-Methyl-Thiazol-2-Yl-Amine Derivatives as Inhibitors of Phosphatidylin Ositol 3 Kinase Enzymes (PI13) For Treatment of Inflammatory Diseases NOVARTIS AG (CH) 2008-11-13 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 (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-20110124693-A1 5-PHENYL-4-METHYL-THIAZOL-2-YL-AMINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL 3 KINASE ENZYMES (PI3) FOR THE TREATMENT OF INFLAMMATORY DISEASES PIK3CA, JAK2, JAK1 ALDH1A1 2527/4885HPGD 2745/4885HDAC3 409/4885
US-20110124624-A1 5-PHENYL-4-METHYL-THIAZOL-2-YL-AMINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL 3 KINASE ENZYMES (PI3) FOR THE TREATMENT OF INFLAMMATORY DISEASES PIK3CA, JAK2, JAK3 ALDH1A1 2453/4885HPGD 2619/4885HDAC3 386/4885
US-20080280871-A1 5-Phenyl-4-Methyl-Thiazol-2-Yl-Amine Derivatives as Inhibitors of Phosphatidylin Ositol 3 Kinase Enzymes (PI13) For Treatment of Inflammatory Diseases PI4KA, IP6K3, PHOSPHO1 ALDH1A1 4022/4885HPGD 3839/4885HDAC3 872/4885
US-20120295839-A1 METHOD OF TREATMENT AND PROPHYLAXIS OF BACTERIAL VAGINOSIS PCNA, DDOST, TLR8 ALDH1A1 3736/4885HPGD 286/4885HDAC3 763/4885

“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.