SCHEMBL1884632

SCHEMBL1884632

O=C(O)[C@@H](O)[C@@H](CCc1ccccc1)NCCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.48
METAP2 P50579 1/20 0.44
METAP1 P53582 1/20 0.44
TSHR P16473 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CNR2 P34972 1/20 0.44
SIGMAR1 Q99720 2/20 0.44
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GGT1 P19440 1/20 0.43
EPHX1 P07099 1/20 0.42
MME P08473 1/20 0.42
PPARG P37231 1/20 0.42

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
SCHEMBL1881832 1.00 OPRK1 (0.48) OPRK1METAP2METAP1TSHRMEN1
SCHEMBL1878857 0.87 SIGMAR1 (0.51) TSHRMEN1KMT2ASIGMAR1CA12
SCHEMBL2852582 0.75 PPARG (0.49) METAP2METAP1TSHRMEN1KMT2A
SCHEMBL9676351 0.75 SIGMAR1 (0.52) OPRK1TSHRMEN1KMT2ACNR2
SCHEMBL2854668 0.75 PPARG (0.49) METAP2METAP1TSHRMEN1KMT2A
Cadaverine Tartrate SCHEMBL3721240 0.74 FFAR1 (0.56) TSHRCYP1A2PPARGPPARA
SCHEMBL3841362 0.73 CTSK (0.57) CA12PPARGPPARA
SCHEMBL5850035 0.73 CTSK (0.57) CA12PPARGPPARA
SCHEMBL5848452 0.73 METAP2 (0.65) METAP2METAP1PPARGPPARA
SCHEMBL5848773 0.73 METAP2 (0.65) METAP2METAP1PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2050738-B1 NOVEL IMIDAZOLIDINONE DERIVATIVE, METHOD OF PRODUCING THE SAME AND METHOD OF PRODUCING OPTICALLY ACTIVE AMINO ACID KANEKA CORP (JP) 2013-07-10 EP disclosed
US-7947722-B2 Imidazolidinone derivative, method of producing the same and method of producing optically active amino acid KANEKA CORPORATION (JP) 2011-05-24 US disclosed
US-20090209768-A1 NOVEL IMIDAZOLIDINONE DERIVATIVE, METHOD OF PRODUCING THE SAME AND METHOD OF PRODUCING OPTICALLY ACTIVE AMINO ACID KANEKA CORPORATION (JP) 2009-08-20 US disclosed
EP-2050738-A1 NOVEL IMIDAZOLIDINONE DERIVATIVE, METHOD OF PRODUCING THE SAME AND METHOD OF PRODUCING OPTICALLY ACTIVE AMINO ACID Kaneka Corporation (JP) 2009-04-22 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 (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-20090209768-A1 NOVEL IMIDAZOLIDINONE DERIVATIVE, METHOD OF PRODUCING THE SAME AND METHOD OF PRODUCING OPTICALLY ACTIVE AMINO ACID DAO, RCC2, AADAT OPRK1 2254/4885METAP2 451/4885METAP1 285/4885

“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.