SCHEMBL1108337

SCHEMBL1108337

COC(=O)C(Cc1ccc(NC(C)=O)c(Cl)c1)NC(C)=O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.59
LCK P06239 1/20 0.45
ERAP2 Q6P179 2/20 0.43
LNPEP Q9UIQ6 2/20 0.43
ERAP1 Q9NZ08 1/20 0.43
NOS2 P35228 4/20 0.43
CA2 P00918 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
ALDH1A1 P00352 1/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 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
SCHEMBL27578169 0.87 TACR1 (0.71) TACR1LCKNOS2SMN1; SMN2NOS3
SCHEMBL5228212 0.83 TACR1 (0.57) TACR1LCKERAP2LNPEPERAP1
SCHEMBL4800831 0.83 TACR1 (0.57) TACR1LCKERAP2LNPEPERAP1
SCHEMBL11320259 0.81 KMT2A (0.53) SMN1; SMN2ALDH1A1HPGD
SCHEMBL17681601 0.80 LCK (0.41) TACR1LCKERAP2LNPEPERAP1
SCHEMBL2856542 0.79 NOS2 (0.58) TACR1NOS2NOS3NOS1HDAC1
SCHEMBL29469535 0.79 NOS2 (0.58) TACR1NOS2NOS3NOS1HDAC1
SCHEMBL2856548 0.79 NOS2 (0.58) TACR1NOS2NOS3NOS1HDAC1
SCHEMBL11333016 0.78 CA12 (0.52) TACR1NOS2CA2SMN1; SMN2CA1
SCHEMBL1108338 0.78 CA12 (0.52) TACR1NOS2CA2SMN1; SMN2CA1

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
US-9586988-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2017-03-07 US disclosed
US-8557781-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2013-10-15 US disclosed
US-8153758-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2012-04-10 US disclosed
US-20080194459-A1 Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses AMBRX, INC. (US) 2008-08-14 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-20080194459-A1 Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses DNPEP, ANPEP, PTMS TACR1 2525/4885LCK 994/4885ERAP2 127/4885

“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.