SCHEMBL2195384

SCHEMBL2195384

C[C@@H](c1ccc(C(O)CO)cc1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LIMK2 P53671 1/20 0.36
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
ALOX5 P09917 3/20 0.33
AOC3 Q16853 1/20 0.32

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
SCHEMBL2196410 1.00 RIPK1 (0.37) RIPK1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL2197629 0.85 KDM4E (0.43) RIPK1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL2202724 0.84 ALOX5 (0.43) RIPK1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL2239284 0.83 PPARA (0.41) RIPK1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL2107176 0.83 PPARA (0.41) RIPK1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL2198620 0.82 ADRB2 (0.44) KDM4EMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL2196598 0.82 ADRB2 (0.48) KDM4EMEN1KMT2ALMNACYP3A4
SCHEMBL2200379 0.82 ADRB2 (0.44) KDM4EMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL2429212 0.80 ESR1 (0.42) LMNACYP3A4ALOX5
SCHEMBL1448846 0.80 ESR1 (0.42) LMNACYP3A4ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977336-B2 Aminopyrimidine derivatives as PLK1 inhibitors BANYU PHARMACEUTICAL CO. LTD (JP) 2011-07-12 US disclosed
EP-2116543-A1 NOVEL AMINOPYRIMIDINE DERIVATIVE AS PLK1 INHIBITOR BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-11-11 EP disclosed
US-20080305081-A1 Novel aminopyrimidine derivatives as PLK1 inhibitors BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-12-11 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 (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-20080305081-A1 Novel aminopyrimidine derivatives as PLK1 inhibitors PLK1, AURKA, CDK1 RIPK1 1680/4885KDM4E 1233/4885MEN1 3180/4885

“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.