SCHEMBL3603910

SCHEMBL3603910

CCOC(=O)CCC(=O)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 9/20 0.48
CES1 P23141 5/20 0.47
CES2 O00748 2/20 0.47
CYP1A2 P05177 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GAA P10253 2/20 0.46
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
ALDH1A1 P00352 2/20 0.43
TRPA1 O75762 1/20 0.43
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
HDAC4 P56524 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 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
SCHEMBL27897565 0.88 FAAH (0.55) FAAHCES1CES2CYP1A2MEN1
Succinic Acid Diethyl Ester SCHEMBL22780 0.81 GAA (0.67) CYP1A2HSD17B10GAAMGAMSI
Succinic Acid Diethyl Ester SCHEMBL27768067 0.81 GAA (0.67) CYP1A2HSD17B10GAAMGAMSI
SCHEMBL3955797 0.80 CYP1A2 (0.48) CYP1A2KMT2AHSD17B10GAAMGAM
SCHEMBL77331 0.80 GAA (0.61) FAAHCES1CES2CYP1A2MEN1
SCHEMBL10172890 0.78 CYP1A2 (0.47) CYP1A2MEN1KMT2AHSD17B10GAA
SCHEMBL3265478 0.78 GAA (0.58) FAAHCES1CES2CYP1A2MEN1
SCHEMBL7210415 0.78 GAA (0.58) FAAHCES1CES2CYP1A2MEN1
Water SCHEMBL10546276 0.78 GAA (0.58) FAAHCES1CES2CYP1A2MEN1
SCHEMBL7406648 0.78 GAA (0.58) FAAHCES1CES2CYP1A2MEN1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898633-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES Bayer Aktiengesellschaft (DE) 2021-10-27 EP disclosed
CN-113474348-A Substituted oxopyridine derivatives 拜耳公司 2021-10-01 CN disclosed
WO-2020127504-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2020-06-25 WO disclosed
US-8742132-B2 Indolylmaleimide derivatives processes for their production and pharmaceutical compositions NOVARTIS AG (CH) 2014-06-03 US disclosed
US-8742132-B2 Indolylmaleimide derivatives processes for their production and pharmaceutical compositions NOVARTIS AG (CH) 2014-06-03 US disclosed
US-8742132-B2 Indolylmaleimide derivatives processes for their production and pharmaceutical compositions NOVARTIS AG (CH) 2014-06-03 US disclosed
EP-2094689-B1 INDOLYLMALEIMIDE DERIVATIVES AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-04-03 EP disclosed
EP-2094689-B1 INDOLYLMALEIMIDE DERIVATIVES AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-04-03 EP disclosed
CN-102766145-A Fluorinated aza imidazolone derivative, synthesis method and application thereof UNIV SHANGHAI 2012-11-07 CN disclosed
US-20120219593-A1 INDOLYLMALEIMIDE DERIVATIVES PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS NOVARTIS AG 2012-08-30 US disclosed
US-20100041693-A1 INDOLYLMALEIMIDE DERIVATIVES NOVARTIS AG (CH) 2010-02-18 US disclosed
US-20100041693-A1 INDOLYLMALEIMIDE DERIVATIVES NOVARTIS AG (CH) 2010-02-18 US disclosed
EP-2094689-A2 INDOLYLMALEIMIDE DERIVATIVES AS KINASE INHIBITORS Novartis AG (CH) 2009-09-02 EP disclosed
WO-2008074752-A2 INDOLYLMALEIMIDE DERIVATIVES AS KINASE INHIBITORS NOVARTIS AG (CH) 2008-06-26 WO disclosed
WO-2008074752-A2 INDOLYLMALEIMIDE DERIVATIVES AS KINASE INHIBITORS NOVARTIS AG (CH) 2008-06-26 WO disclosed
CN-100357261-C Ethyl 5,5,5-trifluoro-4-(1-naphthalenylimino)pentanoate and synthesis method thereof UNIV SHANGHAI (CN) 2007-12-26 CN disclosed
CN-1927825-A Ethyl 5,5,5-trifluoro-4-(1-naphthalenylimino)pentanoate and synthesis method thereof UNIV SHANGHAI (CN) 2007-03-14 CN disclosed
CN-1107142-A Hydrazine derivative and application of same NIHON NOHYAKU CO LTD (JP) 1995-08-23 CN disclosed
US-5064861-A ACYLATED AMINE COMPOUNDS WHICH ARE USEFUL FUNGICIGAL AGENTS ROUSSEL UCLAF (FR) 1991-11-12 US disclosed
US-4326071-A ENZYME INHIBITORS AND ANTIBIOTICS MERRELL TORAUDE ET COMPAGNIE (FR) 1982-04-20 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-20120219593-A1 INDOLYLMALEIMIDE DERIVATIVES PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS RB1, INMT, IDH3A FAAH 2767/4885CES1 1510/4885CES2 1823/4885
US-20100041693-A1 INDOLYLMALEIMIDE DERIVATIVES IDH3A, IDH2, INMT FAAH 2156/4885CES1 1322/4885CES2 1891/4885

“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.