SCHEMBL3046151

SCHEMBL3046151

COC(=O)C(C)(O)C(=O)[C@H](C)N(C)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ATM Q13315 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRK1 P41145 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
CTRB1 P17538 1/20 0.41
HPGD P15428 1/20 0.40
RIPK1 Q13546 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL8895465 0.88 MEN1 (0.44) MEN1KMT2AALDH1A1KDM4EATM
SCHEMBL3050394 0.86 MEN1 (0.49) MEN1KMT2AALDH1A1KDM4EATM
SCHEMBL8908352 0.81 MEN1 (0.52) MEN1KMT2AALDH1A1KDM4EATM
SCHEMBL19203449 0.78 KMT2A (0.56) MEN1KMT2AALDH1A1KDM4EATM
SCHEMBL27783385 0.78 KMT2A (0.56) MEN1KMT2AALDH1A1KDM4EATM
SCHEMBL8895105 0.75 MEN1 (0.37) MEN1KMT2AALDH1A1KDM4EATM
SCHEMBL8894670 0.74 MEN1 (0.40) MEN1KMT2AALDH1A1KDM4EATM
SCHEMBL3054171 0.74 KMT2A (0.57) MEN1KMT2AALDH1A1KDM4EATM
SCHEMBL40674 0.74 KMT2A (0.57) MEN1KMT2AALDH1A1KDM4EATM
SCHEMBL7144646 0.74 KMT2A (0.57) MEN1KMT2AALDH1A1KDM4EATM

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-7772190-B2 Didepsipeptide-based endoparasiticides, new didepsipeptides and process for preparing the same BAYER ANIMAL HEALTH GMBH (DE) 2010-08-10 US disclosed
US-20040034048-A1 Didepsipeptide-based endoparasiticides, new didepsipeptides and process for preparing the same BAYER INTELLECTUAL PROPERTY GMBH (DE) 2004-02-19 US disclosed
US-20020142969-A1 DIDEPSIPEPTIDE-BASED ENDOPARASITICIDES, NEW DIDEPSIPEPTIDES AND PROCESS FOR PREPARING THE SAME BAYER AKTIENGESELLSCHAFT (DE) 2002-10-03 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 (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-20040034048-A1 Didepsipeptide-based endoparasiticides, new didepsipeptides and process for preparing the same VIP, NGLY1, NPEPPS MEN1 1220/4885KMT2A 4667/4885ALDH1A1 4873/4885
US-20020142969-A1 DIDEPSIPEPTIDE-BASED ENDOPARASITICIDES, NEW DIDEPSIPEPTIDES AND PROCESS FOR PREPARING THE SAME VIP, NGLY1, NPEPPS MEN1 1152/4885KMT2A 4668/4885ALDH1A1 4871/4885

“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.