SCHEMBL1657294

SCHEMBL1657294

CC(=O)N[C@H](C=O)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 2/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
NFKB1 P19838 1/20 0.32
PTGS2 P35354 1/20 0.32
THPO P40225 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
CA2 P00918 1/20 0.30
PTGS1 P23219 1/20 0.30
MMP12 P39900 1/20 0.30
CYP1A2 P05177 1/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL9484445 1.00 ALDH1A1 (0.35) ALDH1A1KDM4EMAPTTHRBALOX15
SCHEMBL5464777 1.00 ALDH1A1 (0.35) ALDH1A1KDM4EMAPTTHRBALOX15
SCHEMBL4957751 0.83 ALDH1A1 (0.34) ALDH1A1KDM4EMAPTTHRBALOX15
SCHEMBL3281621 0.80 ALDH1A1 (0.33) ALDH1A1TSHRCTSK
SCHEMBL13049385 0.80 ALDH1A1 (0.33) ALDH1A1TSHRCTSK
SCHEMBL1120061 0.80 ALDH1A1 (0.33) ALDH1A1TSHRCTSK
SCHEMBL8587141 0.78 NPC1 (0.34) ALDH1A1TSHR
SCHEMBL6384699 0.78 PAX8 (0.32) ALDH1A1
SCHEMBL524648 0.78 PAX8 (0.32) ALDH1A1
SCHEMBL1657595 0.78 ALDH1A1 (0.36) ALDH1A1KDM4EMAPTTHRBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129383-A1 Substituted 2-amino-[1,2,4]triazolo[1,5-a]pyrimidine derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-06-07 US claimed
EP-1674454-A1 SUBSTITUTED 2-AMINO- 1,2,4 TRIAZOLO 1,5-a PYRIMIDINE DERIVATIVE AND USE THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2006-06-28 EP claimed
EP-2927227-A1 ANTIBODY-LINKER-DRUG CONJUGATE, PREPARATION METHOD THEREFOR, AND ANTICANCER DRUG COMPOSITION CONTAINING SAME Celltrion, Inc. (KR) 2015-10-07 EP disclosed
US-20110297820-A1 PSEUDACYCLIN AND METHOD OF INDICATION OF A FUNGUS PSEUDALLESCHERIA BOYDII INSTITUTE OF MICROBIOLOGY AS CR, V.V.I. (CZ) 2011-12-08 US disclosed
EP-2303915-A2 PSEUDACYCLIN AND METHOD OF INDICATION OF A FUNGUS PSEUDALLESCHERIA BOYDII Institute Of Microbiology AS CR, v.v.i. (CZ) 2011-04-06 EP disclosed
WO-2009149675-A2 PSEUDACYCLIN AND METHOD OF INDICATION OF A FUNGUS PSEUDALLESCHERIA BOYDII INSTITUTE OF MICROBIOLOGY AS CR, V.V.I. (CZ) 2009-12-17 WO disclosed
WO-2008033460-A2 TREATING PAIN, DIABETES, AND LIPID METABOLISM DISORDERS SCHERING CORPORATION (US) 2008-03-20 WO disclosed
US-6008228-A COMPRISING A MIXTURE OF CARRIER MONOGLYCERIDES OF MEDIUM CHAIN-FATTY ACIDS HOFFMAN-LA ROCHE INC. (US) 1999-12-28 US disclosed
EP-0863915-A1 ACYLATED ENOL DERIVATIVES OF $g(a)-KETOESTERS AND $g(a)-KETOAMIDES HOECHST MARION ROUSSEL, INC. (US) 1998-09-16 EP disclosed
EP-0594540-B1 Antiretroviral acyl compounds CIBA GEIGY AG (CH) 1998-04-01 EP disclosed
EP-0831826-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PROTEINASE INHIBITOR AND A MONOGLYCERIDE F. HOFFMANN-LA ROCHE AG (CH) 1998-04-01 EP disclosed
WO-1997020856-A1 ACYLATED ENOL DERIVATIVES OF α-KETOESTERS AND α-KETOAMIDES HOECHST MARION ROUSSEL, INC. (US) 1997-06-12 WO disclosed
WO-1996039142-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PROTEINASE INHIBITOR AND A MONOGLYCERIDE F. HOFFMANN-LA ROCHE AG (CH) 1996-12-12 WO disclosed
CN-1089606-A Antiretroviral acyl compounds CIBA GEIGY AG (CH) 1994-07-20 CN disclosed
EP-0594540-A1 Antiretroviral acyl compounds CIBA-GEIGY AG (CH) 1994-04-27 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-20070129383-A1 Substituted 2-amino-[1,2,4]triazolo[1,5-a]pyrimidine derivative and use thereof ADORA1, ADORA2B, ADORA3 ALDH1A1 75/4885KDM4E 3781/4885MAPT 3816/4885
US-20110297820-A1 PSEUDACYCLIN AND METHOD OF INDICATION OF A FUNGUS PSEUDALLESCHERIA BOYDII PPIA, PPIG, PPID ALDH1A1 3897/4885KDM4E 3662/4885MAPT 4029/4885

“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.