SCHEMBL1108338

SCHEMBL1108338

COC(=O)C(Cc1ccc(NC(C)=O)cc1)NC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
TACR1 P25103 3/20 0.51
ALDH1A1 P00352 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
ATM Q13315 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KMT2A Q03164 3/20 0.48
THRB P10828 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HDAC1 Q13547 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
NOS2 P35228 1/20 0.47

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
SCHEMBL11333016 1.00 CA12 (0.52) CA12CA1CA2CA9TACR1
SCHEMBL11328111 0.89 ALDH1A1 (0.53) CA12CA1CA2CA9TACR1
SCHEMBL6776526 0.88 TACR1 (0.51) CA12CA1CA2CA9TACR1
SCHEMBL15498955 0.88 TACR1 (0.51) CA12CA1CA2CA9TACR1
SCHEMBL19483164 0.88 TACR1 (0.51) CA12CA1CA2CA9TACR1
SCHEMBL6776523 0.88 TACR1 (0.51) CA12CA1CA2CA9TACR1
SCHEMBL315117 0.84 NPSR1 (0.61) TACR1ALDH1A1NPSR1ATMKMT2A
SCHEMBL3050135 0.84 NPSR1 (0.61) TACR1ALDH1A1NPSR1ATMKMT2A
SCHEMBL17176127 0.84 ATM (0.63) TACR1ALDH1A1NPSR1ATMKMT2A
SCHEMBL14542254 0.84 ALDH1A1 (0.54) TACR1ALDH1A1NPSR1ATMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1968635-B1 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX INC (US) 2014-09-17 EP 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-20080317670-A1 Compositions Containing, Methods Involving, and Uses of Non-Natural Amino Acids and Polypeptides AMBRX, INC. (US) 2008-12-25 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
US-20080187491-A1 For diagnosis, genetic engineering; post-translation modification AMBRX, INC. (US) 2008-08-07 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 (3 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-20080317670-A1 Compositions Containing, Methods Involving, and Uses of Non-Natural Amino Acids and Polypeptides PTMS, DNPEP, ANPEP CA12 2499/4885CA1 4188/4885CA2 4675/4885
US-20080187491-A1 For diagnosis, genetic engineering; post-translation modification PTMS, ANPEP, AADAT CA12 2930/4885CA1 4828/4885CA2 4735/4885
US-20080194459-A1 Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses DNPEP, ANPEP, PTMS CA12 2503/4885CA1 4724/4885CA2 4641/4885

“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.