SCHEMBL1711227

SCHEMBL1711227

N#CC(=Cc1ccccc1F)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.60
LMNA P02545 2/20 0.60
PKM P14618 1/20 0.60
KMT2A Q03164 1/20 0.60
MITF O75030 1/20 0.52
HSP90AA1 P07900 1/20 0.52
EGFR P00533 3/20 0.51
ALDH1A1 P00352 2/20 0.51
CYP3A4 P08684 2/20 0.49
CISD1 Q9NZ45 1/20 0.49
SLC16A3 O15427 1/20 0.49
HPGD P15428 1/20 0.49
SLC16A1 P53985 1/20 0.49
GPR35 Q9HC97 1/20 0.49
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HIF1A Q16665 1/20 0.46

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
SCHEMBL1711226 1.00 KDM4E (0.60) KDM4ELMNAPKMKMT2AMITF
SCHEMBL2029718 1.00 KDM4E (0.60) KDM4ELMNAPKMKMT2AMITF
SCHEMBL28897442 0.85 MCL1 (0.60) KDM4ELMNAKMT2AMITFHSP90AA1
SCHEMBL28436909 0.85 MCL1 (0.60) KDM4ELMNAKMT2AMITFHSP90AA1
SCHEMBL7021269 0.81 ADORA2A (0.60) KDM4ELMNAPKMKMT2AMITF
SCHEMBL21457693 0.81 ADORA2A (0.60) KDM4ELMNAPKMKMT2AMITF
SCHEMBL7021270 0.81 ADORA2A (0.60) KDM4ELMNAPKMKMT2AMITF
SCHEMBL2058767 0.81 EGFR (0.66) KDM4ELMNAPKMKMT2AEGFR
SCHEMBL393439 0.81 EGFR (0.66) KDM4ELMNAPKMKMT2AEGFR
SCHEMBL30980828 0.80 EGFR (0.53) KDM4ELMNAPKMKMT2AEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150510-B2 Amino acid derivative NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2015-10-06 US disclosed
WO-2012175514-A1 PYRIDINONE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-27 WO disclosed
EP-2345635-A1 AMINO ACID DERIVATIVE Nippon Zoki Pharmaceutical Co., Ltd. (JP) 2011-07-20 EP disclosed
US-20110172442-A1 AMINO ACID DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2011-07-14 US disclosed
WO-2011076687-A1 PYRIDINONE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-30 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 (1 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-20110172442-A1 AMINO ACID DERIVATIVE OPRL1, OPRK1, SLC1A1 KDM4E 2649/4885LMNA 4579/4885PKM 3591/4885

“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.