SCHEMBL1852632

SCHEMBL1852632

COP(=O)(OC)C(C)(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
DGAT1 O75907 1/20 0.34
CTSS P25774 4/20 0.33
CTSK P43235 4/20 0.33
CA12 O43570 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CA2 P00918 2/20 0.33
TDP1 Q9NUW8 1/20 0.32
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
BTK Q06187 1/20 0.31
CA1 P00915 1/20 0.31
CA7 P43166 1/20 0.31
PPARA Q07869 2/20 0.30
PPARG P37231 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL1111032 0.81 CTSK (0.36) MEN1GAAKMT2ACTSSCTSK
SCHEMBL843624 0.79 MAPT (0.32)
SCHEMBL2468050 0.71 MEN1 (0.52) MEN1KMT2ACTSSCA12CA2
SCHEMBL2923540 0.70 DGAT1 (0.38) MEN1GAAKMT2ADGAT1CTSS
SCHEMBL25229366 0.70 MEN1 (0.44) MEN1GAAKMT2ADGAT1CTSS
SCHEMBL2512445 0.70 MEN1 (0.40) MEN1GAAKMT2ADGAT1CTSS
SCHEMBL76832 0.70 KDM4C (0.41) MEN1GAAKMT2ADGAT1CTSS
SCHEMBL16296168 0.69 KDM4C (0.39) MEN1GAAKMT2ADGAT1CTSS
SCHEMBL25811478 0.69 CTSK (0.41) MEN1GAAKMT2ADGAT1CTSS
SCHEMBL21834933 0.69 KDM4C (0.39) MEN1GAAKMT2ADGAT1CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3049394-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES AS MODULATORS OF FACTOR XIA Bayer Pharma Aktiengesellschaft (DE) 2016-08-03 EP disclosed
WO-2015044167-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES AS MODULATORS OF FACTOR XIA BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-04-02 WO disclosed
EP-1675835-B1 METHODS OF PREPARATION OF DEHYDRO-DIKETOPIPERAZINES IN LIQUID PHASE OR ON SOLID SUPPORTED PHASE PRO ACTINA S A (GR) 2011-09-21 EP disclosed
EP-2007794-B1 LYSOBACTIN AMIDES AICURIS GMBH & CO KG (DE) 2011-09-14 EP disclosed
EP-1697400-B1 BIPHENYL-SUBSTITUTED ANTIBACTERIAL MACROCYCLES AICURIS GMBH & CO KG (DE) 2011-05-25 EP disclosed
US-20080070884-A1 Antibiotics; novel class of cell wall biosynthesis inhibitors without cross-resistances to known classes of antibiotics; active analogs of lysobactin with a higher ring stability AICURIS GMBH & CO. KG (DE) 2008-03-20 US disclosed
US-20080009512-A1 Tetrahydroquinolones and Aza-Analogues Thereof for Use as Dpp-IV Inhibitors in the Treatment of Diabetes ASTRAZENECA AB (SE) 2008-01-10 US disclosed
US-7129249-B2 Heterocyclic amide derivatives as inhibitors of glycogen phoshorylase ASTRAZENECA AB (SE) 2006-10-31 US disclosed
EP-1697400-A1 BIPHENYL-SUBSTITUTED ANTIBACTERIAL MACROCYCLES AiCuris GmbH & Co. KG (DE) 2006-09-06 EP disclosed
EP-1675835-A1 METHODS OF PREPARATION OF DEHYDRO-DIKETOPIPERAZINES IN LIQUID PHASE OR OF SOLID SUPPORTED PHASE Couladouros, Elias Andrea (GR) 2006-07-05 EP disclosed
WO-2005058943-A1 BIPHENYL-SUBSTITUTED ANTIBACTERIAL MACROCYCLES AICURIS GMBH & CO. KG (DE) 2005-06-30 WO disclosed
US-20050131015-A1 Heterocyclic amide derivatives as inhibitors of glycogen phoshorylase ASTRAZENECA AB (SE) 2005-06-16 US disclosed
WO-2005003102-A1 METHODS OF PREPARATION OF DEHYDRO-DIKETOPIPERAZINES IN LIQUID PHASE OR OF SOLID SUPPORTED PHASE COULADOUROS ELIAS (GR) 2005-01-13 WO 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 (3 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-20050131015-A1 Heterocyclic amide derivatives as inhibitors of glycogen phoshorylase PYGL, GYS2, GYS1 MEN1 3701/4885GAA 59/4885KMT2A 3909/4885
US-20080070884-A1 Antibiotics; novel class of cell wall biosynthesis inhibitors without cross-resistances to known classes of antibiotics; active analogs of lysobactin with a higher ring stability AAAS, PGLS, NRDC MEN1 1768/4885GAA 279/4885KMT2A 1856/4885
US-20080009512-A1 Tetrahydroquinolones and Aza-Analogues Thereof for Use as Dpp-IV Inhibitors in the Treatment of Diabetes DPP4, DPP8, DPP3 MEN1 2942/4885GAA 2573/4885KMT2A 911/4885

“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.