SCHEMBL13660573

SCHEMBL13660573

N[C@H](Cc1cccc([N+](=O)O)c1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 8/20 0.59
PTGS1 P23219 2/20 0.59
ALPI P09923 1/20 0.59
PKM P14618 1/20 0.59
XIAP P98170 1/20 0.59
GRIA2 P42262 1/20 0.56
NOS3 P29474 3/20 0.55
NOS1 P29475 3/20 0.55
NOS2 P35228 3/20 0.55
KDM4E B2RXH2 1/20 0.51
USP2 O75604 1/20 0.51
EGFR P00533 1/20 0.51
LCK P06239 1/20 0.51
FYN P06241 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
ALOX15 P16050 1/20 0.51
HTR2A P28223 1/20 0.51
PTGS2 P35354 1/20 0.51
RECQL P46063 1/20 0.51
HIF1A Q16665 1/20 0.51

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
SCHEMBL30232038 0.86 GRM8 (0.63) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL8083539 0.86 GRM8 (0.63) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL44005 0.86 GRM8 (0.63) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL44004 0.86 GRM8 (0.63) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL29616010 0.86 GRM8 (0.63) SLC7A5PTGS1ALPIPKMXIAP
Hydrochloric Acid SCHEMBL6747798 0.85 GRM8 (0.62) SLC7A5PTGS1ALPIPKMXIAP
Hydrochloric Acid SCHEMBL8127068 0.85 GRM8 (0.62) SLC7A5PTGS1ALPIPKMXIAP
Hydrochloric Acid SCHEMBL6747799 0.85 GRM8 (0.62) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL2314258 0.83 SLC7A5 (0.77) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL14904486 0.80 SLC7A5 (0.62) SLC7A5PTGS1ALPIPKMXIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702652-B2 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION A/S (DK) 2023-07-18 US disclosed
US-11702652-B2 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION A/S (DK) 2023-07-18 US disclosed
US-20170247688-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION A/S (DK) 2017-08-31 US disclosed
US-9574189-B2 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION A/S (DK) 2017-02-21 US disclosed
US-9574189-B2 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION A/S (DK) 2017-02-21 US disclosed
US-20090264300-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION A/S (DK) 2009-10-22 US disclosed
US-20090264300-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION A/S (DK) 2009-10-22 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-20090264300-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES RNGTT, DUT, EMG1 SLC7A5 1759/4885PTGS1 3108/4885ALPI 817/4885

“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.