SCHEMBL3050396

SCHEMBL3050396

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
SLC6A2 P23975 1/20 0.46
HTR2A P28223 1/20 0.46
SLC6A4 P31645 1/20 0.46
ADRA1A P35348 1/20 0.46
OPRK1 P41145 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KCNH2 Q12809 1/20 0.46
HPGD P15428 1/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
TSHR P16473 2/20 0.40

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
SCHEMBL3046145 0.86 KMT2A (0.48) KMT2AMEN1ADRA2BADRA2CSLC6A2
SCHEMBL8713433 0.83 MMP1 (0.44) KMT2AMEN1ADRA2BADRA2CSLC6A2
SCHEMBL8894581 0.83 MEN1 (0.42) KMT2AMEN1ADRA2BADRA2CSLC6A2
SCHEMBL8895474 0.83 MEN1 (0.43) KMT2AMEN1ADRA2BADRA2CSLC6A2
SCHEMBL40674 0.82 KMT2A (0.57) KMT2AMEN1ADRA2BADRA2CSLC6A2
SCHEMBL7144646 0.82 KMT2A (0.57) KMT2AMEN1ADRA2BADRA2CSLC6A2
SCHEMBL3054171 0.82 KMT2A (0.57) KMT2AMEN1ADRA2BADRA2CSLC6A2
SCHEMBL10140576 0.81 KMT2A (0.57) KMT2AMEN1ADRA2BADRA2CSLC6A2
Hydrochloric Acid SCHEMBL29247750 0.80 KMT2A (0.56) KMT2AMEN1ADRA2BADRA2CSLC6A2
SCHEMBL8893427 0.78 MEN1 (0.37) KMT2AMEN1ADRA2BADRA2CSLC6A2

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 6 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
CN-1254596-A Process for preparing composition to kill internal parasites BAYER AG (DE) 2000-05-31 CN disclosed
CN-1199394-A Didepsipeptide-based endoparasiticidal compositions, novel depsipeptides and methods for their preparation BAYER AG (DE) 1998-11-18 CN disclosed
US-5624897-A PARASITICIDES, NEMATOSIDES OF CYCLIC PEPTIDE LACTONES FOR VETERINARY MEDICINE BAYER AKTIENGESELLSCHAFT (DE) 1997-04-29 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 KMT2A 4667/4885MEN1 1220/4885ADRA2B 4515/4885
US-20020142969-A1 DIDEPSIPEPTIDE-BASED ENDOPARASITICIDES, NEW DIDEPSIPEPTIDES AND PROCESS FOR PREPARING THE SAME VIP, NGLY1, NPEPPS KMT2A 4668/4885MEN1 1152/4885ADRA2B 4533/4885

“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.