Sugi Predict

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SCHEMBL4714436

SCHEMBL4714436

CCOC(=O)c1cnc(SC)nc1O[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ ALDH1A1 P00352 7/20 0.44
▸ PIK3CD O00329 2/20 0.43
▸ SYK P43405 2/20 0.43
▸ POLB P06746 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ NPSR1 Q6W5P4 3/20 0.41
▸ MAPT P10636 5/20 0.41
▸ LMNA P02545 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ FOS P01100 1/20 0.41
▸ JUN P05412 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ HTT P42858 2/20 0.41
▸ MAPK1 P28482 2/20 0.40
▸ HPGD P15428 2/20 0.40

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
SCHEMBL4714437 1.00 KMT2A (0.45) KMT2AMEN1ALDH1A1PIK3CDSYK
SCHEMBL31361631 0.86 MEN1 (0.58) KMT2AMEN1ALDH1A1SYKPOLB
SCHEMBL30879016 0.86 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1SYKPOLB
SCHEMBL4711781 0.85 PIK3CD (0.43) ALDH1A1PIK3CDPOLBNPSR1MAPT
SCHEMBL4711783 0.85 PIK3CD (0.43) ALDH1A1PIK3CDPOLBNPSR1MAPT
SCHEMBL31361711 0.83 KMT2A (0.58) KMT2AMEN1ALDH1A1SYKPOLB
SCHEMBL16414913 0.83 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1SYKPOLB
SCHEMBL16414911 0.83 MEN1 (0.43) KMT2AMEN1ALDH1A1SYKPOLB
SCHEMBL16414912 0.83 MEN1 (0.43) KMT2AMEN1ALDH1A1SYKPOLB
Hydrochloric Acid SCHEMBL4711066 0.80 KMT2A (0.52) KMT2AMEN1ALDH1A1SYKPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1325910-B1 ALIPHATIC NITROGENOUS FIVE-MEMBERED RING COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-17 — — EP disclosed
US-7160877-B2 Aliphatic nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2007-01-09 — — US disclosed
US-6849622-B2 Aliphatic nitrogenous five-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2005-02-01 — — US disclosed
US-20040229926-A1 Aliphatic nitrogen - containing 5 - membered ring compound TANABE SEIYAKU CO., LTD. 2004-11-18 — — US disclosed
US-20040063935-A1 Aliphatic nitrogenous five-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2004-04-01 — — US disclosed
EP-1325910-A1 ALIPHATIC NITROGENOUS FIVE-MEMBERED RING COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2003-07-09 — — EP 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-20040063935-A1 Aliphatic nitrogenous five-membered ring compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SCN5A, CYP11B1 KMT2A 3485/4885MEN1 1488/4885ALDH1A1 1113/4885
US-20040229926-A1 Aliphatic nitrogen - containing 5 - membered ring compound H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP11B1, CYP11B2 KMT2A 2980/4885MEN1 1452/4885ALDH1A1 715/4885

“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.