SCHEMBL17933351

SCHEMBL17933351

CC(=O)[C@@H](N)Cc1ccc(P(=O)(O)O)s1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTPRC P08575 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ SLC7A5 Q01650 2/20 0.32
▸ ALPI P09923 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ XIAP P98170 1/20 0.32
▸ FBP1 P09467 2/20 0.31
▸ CTSC P53634 1/20 0.31
▸ NOS3 P29474 1/20 0.31
▸ NOS1 P29475 1/20 0.31
▸ NOS2 P35228 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ MAPK1 P28482 1/20 0.30
▸ ANPEP P15144 1/20 0.30
▸ LAP3 P28838 1/20 0.30

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
SCHEMBL16561815 0.86 SLC7A5 (0.43) PTPRCPTPN1SLC7A5ALPIPKM
SCHEMBL16131652 0.76 L3MBTL1 (0.44) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL17933348 0.74 GRM8 (0.33) PTPRC
SCHEMBL17656768 0.70 PTPRC (0.46) PTPRCPTPN1SLC7A5ALPIPKM
SCHEMBL21101858 0.69 FDPS (0.43) PKMFBP1ALDH1A1HPGDMAPK1
SCHEMBL10926520 0.67 CTSC (0.60) CTSC
SCHEMBL13979539 0.67 CTSC (0.60) CTSC
SCHEMBL12240914 0.67 CTSC (0.60) CTSC
SCHEMBL14317337 0.67 PTPRC (0.50) PTPRCPTPN1SLC7A5ANPEPLAP3
SCHEMBL17933356 0.67 FBP1 (0.33) FBP1

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-20160207948-A1 PHOSPHOHISTIDINE AND PHOSPHOTYROSINE ANALOGUES UNIVERSITY OF SHEFFIELD (GB) 2016-07-21 — — 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-20160207948-A1 PHOSPHOHISTIDINE AND PHOSPHOTYROSINE ANALOGUES HRH3, CYTH3, CYTH2 PTPRC 75/4885PTPN1 334/4885SLC7A5 2977/4885

“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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