SCHEMBL2800230

SCHEMBL2800230

N[C@@H](Cc1ccccc1)C(=O)c1ccc([C](c2ccccc2)c2ccccc2)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.46
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
XIAP P98170 1/20 0.46
KMO O15229 3/20 0.43
MDM2 Q00987 1/20 0.42
SLC15A1 P46059 1/20 0.41
LTA4H P09960 1/20 0.40
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL5067808 0.89 HDAC8 (0.41) HDAC8
SCHEMBL4403267 0.87 MDM2 (0.44) KMOMDM2HDAC8
SCHEMBL14843883 0.85 KMO (0.40) KMO
SCHEMBL4420284 0.83 GRN (0.40) SLC7A5PKMKMO
SCHEMBL5067796 0.80 CA1 (0.38) PKMKMO
SCHEMBL2333132 0.80 KMT2A (0.57) HDAC8
SCHEMBL6897797 0.78 NPC1 (0.38) PKMKMO
SCHEMBL3136979 0.78 SLC7A5 (0.68) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL4895993 0.78 SLC7A5 (0.68) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL3657476 0.77 SLC7A5 (0.53) SLC7A5ALPIPKMPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190209704-A1 NOVEL ANTIBODY-DRUG CONJUGATES AND RELATED COMPOUNDS, COMPOSITIONS AND METHODS OF USE SENSEI BIOTHERAPEUTICS, INC. 2019-07-11 US disclosed
EP-3209334-A2 NOVEL ANTIBODY-DRUG CONJUGATES AND RELATED COMPOUNDS, COMPOSITIONS, AND METHODS OF USE Igenica Biotherapeutics, Inc. (US) 2017-08-30 EP disclosed
US-8512707-B2 Methods of treating drug-resistant cancers SEATTLE GENETICS, INC. (US) 2013-08-20 US disclosed
US-20100260786-A1 METHODS OF TREATING DRUG-RESISTANT CANCERS SEATTLE GENETICS, INC. (US) 2010-10-14 US disclosed
US-7750116-B1 Antibody drug conjugate metabolites SEATTLE GENETICS, INC. (US) 2010-07-06 US disclosed
WO-2010004535-A2 THERAPEUTIC METHODS AND COMPOSITIONS EMPLOYING PEPTIDE COMPOUNDS NYBERG FRED (SE) 2010-01-14 WO disclosed
EP-1917020-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS Seattle Genetics, Inc. (US) 2008-05-07 EP disclosed
WO-2007008603-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2007-01-18 WO 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-20100260786-A1 METHODS OF TREATING DRUG-RESISTANT CANCERS CD44, TP53, MKI67 SLC7A5 4368/4885ALPI 782/4885PKM 2145/4885
US-20190209704-A1 NOVEL ANTIBODY-DRUG CONJUGATES AND RELATED COMPOUNDS, COMPOSITIONS AND METHODS OF USE CYTH3, CD47, FCGRT SLC7A5 817/4885ALPI 1824/4885PKM 4546/4885

“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.