SCHEMBL15905944

SCHEMBL15905944

N[C@@H](Cc1ccc(C(=O)C2OCCO2)cc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.53
TPH1 P17752 4/20 0.52
PTGS1 P23219 3/20 0.51
PKM P14618 2/20 0.51
ALPI P09923 1/20 0.51
XIAP P98170 1/20 0.51
GRB2 P62993 1/20 0.46
HIF1A Q16665 4/20 0.45
ALOX15 P16050 3/20 0.45
KDM4E B2RXH2 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
USP2 O75604 1/20 0.45
EGFR P00533 1/20 0.45
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
HTR2A P28223 1/20 0.45
PTGS2 P35354 1/20 0.45
RECQL P46063 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL13703217 1.00 SLC7A5 (0.53) SLC7A5TPH1PTGS1PKMALPI
SCHEMBL15905943 0.81 SLC7A5 (0.51) SLC7A5TPH1PTGS1PKMALPI
SCHEMBL826542 0.81 SLC7A5 (0.51) SLC7A5TPH1PTGS1PKMALPI
SCHEMBL14679511 0.81 ANPEP (0.35) SLC7A5TPH1SMN1; SMN2LMNA
SCHEMBL826927 0.80 SLC7A5 (0.57) SLC7A5TPH1PTGS1PKMALPI
SCHEMBL13703215 0.79 SLC7A5 (0.49) SLC7A5TPH1PTGS1PKMALPI
SCHEMBL13703216 0.79 PTPN1 (0.49) SLC7A5TPH1PTGS1PKMALPI
SCHEMBL13703213 0.79 TPH1 (0.49) SLC7A5TPH1PTGS1PKMALPI
SCHEMBL13997785 0.79 SLC7A5 (0.56) SLC7A5TPH1PTGS1PKMALPI
SCHEMBL7410968 0.78 TPH1 (0.45) SLC7A5TPH1PTGS1PKMALPI

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-9637441-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2017-05-02 US disclosed
US-20150094457-A1 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES AMBRX, INC. (US) 2015-04-02 US disclosed
US-8859802-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2014-10-14 US disclosed
US-8791231-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2014-07-29 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 (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-20150094457-A1 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES PTMS, DAO, DNPEP SLC7A5 384/4885TPH1 2117/4885PTGS1 2070/4885

“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.