SCHEMBL934877

SCHEMBL934877

CCOC(=O)C(=O)CC(=O)c1ccc(C#N)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNTT P04053 1/20 0.55
ALDH1A1 P00352 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
POLB P06746 1/20 0.52
GSK3B P49841 1/20 0.50
RAB9A P51151 1/20 0.49
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
KDM4E B2RXH2 1/20 0.45
GPR35 Q9HC97 1/20 0.45
MAPT P10636 1/20 0.44
RAF1 P04049 1/20 0.43
PDGFRB P09619 1/20 0.43
KIT P10721 1/20 0.43
FGFR1 P11362 1/20 0.43
BRAF P15056 1/20 0.43
KDR P35968 1/20 0.43
TEK Q02763 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ADRB2 P07550 1/20 0.43

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
SCHEMBL1919184 0.84 GSK3B (0.53) ALDH1A1SMN1; SMN2GSK3BRAB9ACA1
SCHEMBL28710182 0.83 GSK3B (0.55) DNTTALDH1A1SMN1; SMN2POLBGSK3B
SCHEMBL2911004 0.82 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2POLBGSK3BRAB9A
SCHEMBL15465308 0.81 GPR35 (0.48) DNTTALDH1A1SMN1; SMN2GSK3BRAB9A
SCHEMBL12020298 0.81 ESR1 (0.58) ALDH1A1SMN1; SMN2POLBRAB9ACA1
SCHEMBL1124607 0.81 FNTA (0.50) DNTTALDH1A1SMN1; SMN2GSK3BRAB9A
SCHEMBL9208969 0.81 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2POLBRAB9ACA1
SCHEMBL25011313 0.80 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2POLBRAB9ACA1
SCHEMBL1694519 0.80 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2POLBGSK3BRAB9A
SCHEMBL2916273 0.80 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2POLBRAB9ACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114057646-B Pyrazole derivative and application thereof in preparation of antitumor drugs 常州大学 2023-05-02 CN disclosed
CN-114057646-A Pyrazole derivative and application thereof in preparation of antitumor drugs 常州大学 2022-02-18 CN disclosed
US-20120128630-A1 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARAMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE VIVALIS (FR) 2012-05-24 US disclosed
EP-2451800-A1 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE Vivalis (FR) 2012-05-16 EP disclosed
WO-2011004017-A1 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE VIVALIS (FR) 2011-01-13 WO disclosed
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
CN-1902191-A Amidopyrazole derivative DAIICHI SEIYAKU CO (JP) 2007-01-24 CN disclosed
EP-1698626-A1 AMIDOPYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 EP disclosed
US-20060052384-A1 Aryl piperidine derivatives as inducers of ldl-receptor expression for the treatment of hypercholesterolemia GLAXO GROUP LIMITED (GB) 2006-03-09 US disclosed
EP-1539158-A1 ARYL PIPERIDINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA GLAXO GROUP LIMITED (GB) 2005-06-15 EP disclosed
WO-2004006922-A1 ARYL PIPERIDINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA GLAXO GROUP LIMITED (GB) 2004-01-22 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-20120128630-A1 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARAMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE NAT1, POLM, PYGL DNTT 143/4885ALDH1A1 1657/4885SMN1; SMN2 2980/4885
US-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 DNTT 3962/4885ALDH1A1 171/4885SMN1; SMN2 4048/4885
US-20060052384-A1 Aryl piperidine derivatives as inducers of ldl-receptor expression for the treatment of hypercholesterolemia LDLR, NR1H2, NR1H3 DNTT 3973/4885ALDH1A1 1304/4885SMN1; SMN2 4877/4885

“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.