SCHEMBL25935564

SCHEMBL25935564

O=C(O)CC(CC(=O)O)c1ccc(N2CCN(C(=O)OCc3ccccc3)CC2)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.51
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CHRM1 P11229 1/20 0.45
PTGS1 P23219 1/20 0.45
CYP2C19 P33261 1/20 0.44
TMEM97 Q5BJF2 4/20 0.43
SIGMAR1 Q99720 4/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
DRD1 P21728 1/20 0.43
HRH2 P25021 1/20 0.43
HTR1B P28222 1/20 0.43
HTR2A P28223 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
SCHEMBL30479016 1.00 GRM5 (0.51) GRM5KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL28690316 0.81 GRM5 (0.56) GRM5KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL29013170 0.79 GRM5 (0.54) GRM5KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL25256843 0.76 GRM5 (0.58) GRM5KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL34467562 0.75 GRM5 (0.52) GRM5KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL7873209 0.75 FNTA (0.46) SLC6A4
SCHEMBL3970912 0.74 MEN1 (0.76) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL4814264 0.74 MEN1 (0.76) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL7393652 0.74 MEN1 (0.76) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL379160 0.74 MEN1 (0.76) KMT2AMEN1NPSR1SMN1; SMN2NPC1

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
CN-116261458-B PLK1 degradation inducing compounds 厄普特拉株式会社 2024-05-24 CN disclosed
US-11939334-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers UPPTHERA, INC. (KR) 2024-03-26 US disclosed
US-20230242541-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-08-03 US disclosed
CN-116261458-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2023-06-13 CN 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 (2 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-11939334-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers PLK1, BUB1B, BUB1 GRM5 1390/4885KMT2A 1115/4885MEN1 2443/4885
US-20230242541-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND PLK1, BUB1B, BUB1 GRM5 3397/4885KMT2A 1840/4885MEN1 3403/4885

“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.