SCHEMBL3385253

SCHEMBL3385253

C=Cc1cc(CC(N)C(=O)O)ccc1CP(=O)(O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.54
PTPRC P08575 1/20 0.48
ALOX15 P16050 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
EGFR P00533 1/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
PTGS1 P23219 1/20 0.47
HTR2A P28223 1/20 0.47
PTGS2 P35354 1/20 0.47
RECQL P46063 1/20 0.47
SLC7A5 Q01650 1/20 0.47
HIF1A Q16665 1/20 0.47
MEN1 O00255 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 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
SCHEMBL3385031 0.82 SLC7A5 (0.49) MAPK1PTPRCALOX15HSD17B10TDP1
SCHEMBL3385136 0.80 PKM (0.47) ALOX15HSD17B10TDP1KDM4EUSP2
SCHEMBL3384894 0.80 SLC7A5 (0.50) ALOX15HSD17B10TDP1KDM4EUSP2
SCHEMBL9249055 0.79 SLC7A5 (0.64) MAPK1PTPRCALOX15HSD17B10TDP1
SCHEMBL1981915 0.79 SLC7A5 (0.46) MAPK1PTPRCALOX15HSD17B10TDP1
SCHEMBL3383317 0.79 SLC7A5 (0.46) ALOX15HSD17B10TDP1KDM4EUSP2
SCHEMBL1982704 0.79 NR1I2 (0.46) MAPK1PTPRCALOX15HSD17B10TDP1
SCHEMBL3385922 0.77 PTPN1 (0.60) MAPK1PTPRCALOX15HSD17B10TDP1
SCHEMBL3382296 0.76 GRB2 (0.43) ALOX15HSD17B10TDP1KDM4EUSP2
SCHEMBL738555 0.76 PTPRC (0.67) MAPK1PTPRCALOX15HSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445706-B2 Unnatural amino acids capable of covalently modifying protein phosphatases and their use as general and specific inhibitors and probes BOARD OF TRUSTEES OF NORTHERN ILLINOIS UNIVERSITY (US) 2013-05-21 US claimed
US-20100061936-A1 UNNATURAL AMINO ACIDS CAPABLE OF COVALENTLY MODIFYING PROTEIN PHOSPHATASES AND THEIR USE AS GENERAL AND SPECIFIC INHIBITORS AND PROBES BOARD OF TRUSTEES OF NORTHERN ILLINOIS UNIVERSITY 2010-03-11 US claimed
US-20120245029-A1 NOVEL PHOSPH(ON)ATE- AND SULF(ON)ATE-BASED PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL AGENTS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2012-09-27 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-20120245029-A1 NOVEL PHOSPH(ON)ATE- AND SULF(ON)ATE-BASED PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL AGENTS TYMP, PNP, MTAP MAPK1 3352/4885PTPRC 507/4885ALOX15 3376/4885

“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.