SCHEMBL2849191

SCHEMBL2849191

COC(=O)c1cccc(CCC#N)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.68
CYP4A11 Q02928 3/20 0.68
LOXL2 Q9Y4K0 1/20 0.60
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
SLC7A5 Q01650 1/20 0.52
MRGPRX4 Q96LA9 3/20 0.51
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HIF1A Q16665 1/20 0.47
PARP1 P09874 1/20 0.46
FOLH1 Q04609 1/20 0.46
CD74 P04233 1/20 0.45
MIF P14174 1/20 0.45
NPC1 O15118 1/20 0.45
TSHR P16473 1/20 0.44

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
SCHEMBL70173 0.85 CYP4F2 (0.83) CYP4F2CYP4A11LOXL2MEN1KMT2A
SCHEMBL3995781 0.85 CYP4F2 (0.66) CYP4F2CYP4A11MEN1KMT2AALDH1A1
SCHEMBL14037038 0.85 CYP4F2 (0.68) CYP4F2CYP4A11LOXL2MEN1KMT2A
SCHEMBL29539688 0.84 LOXL2 (0.64) CYP4F2CYP4A11LOXL2MEN1KMT2A
SCHEMBL40562 0.84 LOXL2 (0.64) CYP4F2CYP4A11LOXL2MEN1KMT2A
SCHEMBL10784559 0.84 KMT2A (0.51) CYP4F2CYP4A11LOXL2MEN1KMT2A
SCHEMBL17844265 0.83 MRGPRX4 (0.56) CYP4F2CYP4A11LOXL2SLC7A5MRGPRX4
SCHEMBL6459667 0.83 MEN1 (0.61) CYP4F2CYP4A11MEN1KMT2AMRGPRX4
SCHEMBL27676657 0.81 CYP4F2 (0.60) CYP4F2CYP4A11MEN1KMT2AALDH1A1
SCHEMBL46931 0.81 CYP4A11 (1.00) CYP4F2CYP4A11LOXL2SLC7A5MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111675631-A Synthesis process of cyano ketoprofen 湖北仙盛科技股份有限公司 2020-09-18 CN claimed
WO-2023227666-A1 PYRIMIDINONE COMPOUNDS FOR TREATING ACUTE INFLAMMATION TES PHARMA S.R.L. (IT) 2023-11-30 WO disclosed
US-11530186-B2 Inhibitors for the β-catenin / T-cell factor protein-protein interaction H. Lee Moffitt Cancer Center and Research Center Institute, Inc. (US) 2022-12-20 US disclosed
US-11530186-B2 Inhibitors for the β-catenin / T-cell factor protein-protein interaction H. Lee Moffitt Cancer Center and Research Center Institute, Inc. (US) 2022-12-20 US disclosed
US-11254644-B2 Inhibitors of alpha-amino-beta-carboxymuconic acid semialdehyde decarboxylase TES PHARMA S.R.L. (IT) 2022-02-22 US disclosed
US-20210017139-A1 INHIBITORS FOR THE B-CATENIN / T-CELL FACTOR PROTEIN-PROTEIN INTERACTION H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2021-01-21 US disclosed
US-20210017139-A1 INHIBITORS FOR THE B-CATENIN / T-CELL FACTOR PROTEIN-PROTEIN INTERACTION H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2021-01-21 US disclosed
CN-111675631-A Synthesis process of cyano ketoprofen 湖北仙盛科技股份有限公司 2020-09-18 CN disclosed
US-20200207721-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2020-07-02 US disclosed
WO-2019191410-A1 INHIBITORS FOR THE Β-CATENIN / T-CELL FACTOR PROTEIN–PROTEIN INTERACTION H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2019-10-03 WO disclosed
US-20160060226-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2016-03-03 US disclosed
WO-2016030534-A1 INHIBITORS OF α-AMINO-β-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2016-03-03 WO disclosed
EP-2184285-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-11-04 EP disclosed
US-8344135-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-01 US disclosed
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 US disclosed
EP-2184285-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-12 EP disclosed
EP-2049541-A2 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-04-22 EP disclosed
WO-2008016192-A2 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-07 WO disclosed
US-4656233-A \"Living\" polymers and chain transfer-regulated polymerization process E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-04-07 US disclosed
EP-0186330-A1 \"Living\" polymers and chain transfer-regulated polymerization process E.I. DU PONT DE NEMOURS AND COMPANY (US) 1986-07-02 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 (6 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-20210017139-A1 INHIBITORS FOR THE B-CATENIN / T-CELL FACTOR PROTEIN-PROTEIN INTERACTION CTNNBL1, CTNNB1, APC CYP4F2 3958/4885CYP4A11 3295/4885LOXL2 3185/4885
US-20200207721-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 CYP4F2 1618/4885CYP4A11 2498/4885LOXL2 1982/4885
US-11530186-B2 Inhibitors for the β-catenin / T-cell factor protein-protein interaction CTNNB1, CTNNBL1, APC CYP4F2 4063/4885CYP4A11 3426/4885LOXL2 2856/4885
US-20160060226-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 CYP4F2 1618/4885CYP4A11 2498/4885LOXL2 1982/4885
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 CYP4F2 770/4885CYP4A11 434/4885LOXL2 2727/4885
US-11254644-B2 Inhibitors of alpha-amino-beta-carboxymuconic acid semialdehyde decarboxylase ACMSD, GLS, ALDH7A1 CYP4F2 1618/4885CYP4A11 2498/4885LOXL2 1982/4885

“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.