SCHEMBL3784980

SCHEMBL3784980

CC(C)(C)[C@@](CCO)(NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HTT P42858 1/20 0.45
CTSS P25774 2/20 0.45
ALDH1A1 P00352 1/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
LMNA P02545 2/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
SYK P43405 1/20 0.42
POLB P06746 1/20 0.42
CTSK P43235 2/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41

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
SCHEMBL2777369 0.90 HTT (0.52) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL9087628 0.90 HTT (0.52) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL375883 0.88 MEN1 (0.48) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL9300241 0.86 MEN1 (0.46) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7410131 0.85 MEN1 (0.50) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL3257096 0.85 HTT (0.52) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL6500077 0.85 MEN1 (0.50) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7410134 0.85 MEN1 (0.50) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL31236732 0.85 MEN1 (0.45) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL6702818 0.84 MEN1 (0.49) MEN1KMT2ASMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216802-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD. (GB) 2010-08-26 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-20100216802-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER PLK2, PLK4, PLK3 MEN1 2733/4885KMT2A 2417/4885SMN1; SMN2 4326/4885

“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.