SCHEMBL19367929

SCHEMBL19367929

N[C@H](Cc1cc2ccc3cccc4ccc(c1)c2c34)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 6/20 0.58
▸ PTGS1 P23219 2/20 0.58
▸ ALPI P09923 1/20 0.58
▸ PKM P14618 1/20 0.58
▸ XIAP P98170 1/20 0.58
▸ NOS3 P29474 2/20 0.54
▸ NOS1 P29475 2/20 0.54
▸ NOS2 P35228 2/20 0.54
▸ GRIA2 P42262 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.50
▸ USP2 O75604 1/20 0.50
▸ EGFR P00533 1/20 0.50
▸ LCK P06239 1/20 0.50
▸ FYN P06241 1/20 0.50
▸ ADORA3 P0DMS8 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ HTR2A P28223 1/20 0.50
▸ PTGS2 P35354 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ HIF1A Q16665 1/20 0.50

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
SCHEMBL17553136 1.00 SLC7A5 (0.58) SLC7A5PTGS1ALPIPKMXIAP
Pyrene SCHEMBL28205462 0.88 SLC7A5 (0.76) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL210104 0.81 SLC7A5 (0.65) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL29375097 0.81 SLC7A5 (0.65) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL29401985 0.81 SLC7A5 (0.65) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL837890 0.81 SLC7A5 (0.65) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL93303 0.81 SLC7A5 (0.65) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL29554654 0.81 SLC7A5 (0.65) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL93304 0.81 SLC7A5 (0.65) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL29584308 0.81 SLC7A5 (0.65) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170267689-A1 STIMULI-SWITCHABLE MOIETIES, MONOMERS AND POLYMERS INCORPORATING STIMULI-SWITCHABLE MOIETIES, AND METHODS OF MAKING AND USING SAME THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2017-09-21 — — 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-20170267689-A1 STIMULI-SWITCHABLE MOIETIES, MONOMERS AND POLYMERS INCORPORATING STIMULI-SWITCHABLE MOIETIES, AND METHODS OF MAKING AND USING SAME PASK, PAM, PTMS SLC7A5 3582/4885PTGS1 2087/4885ALPI 4859/4885

“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.

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