SCHEMBL22005486

SCHEMBL22005486

O=C1c2ccc(-c3cc(S(=O)(=O)O)c4cccc5c4c3C(=O)OC5=O)cc2C(=O)c2cc(S(=O)(=O)O)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGAM1 P18669 3/20 0.36
▸ TYMS P04818 3/20 0.34
▸ PKLR P30613 5/20 0.33
▸ PARG Q86W56 3/20 0.33
▸ RHOA P61586 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ STAT3 P40763 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ PKM P14618 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ PTPN1 P18031 3/20 0.31
▸ PTPRC P08575 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ APEX1 P27695 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ BLM P54132 1/20 0.31

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
SCHEMBL6395177 0.81 TYMS (0.40) PGAM1TYMSSMN1; SMN2KMT2AMEN1
SCHEMBL23365410 0.81 PGAM1 (0.32) PGAM1
SCHEMBL21945627 0.80 TYMS (0.39) TYMSPKLRPARGRHOASMN1; SMN2
SCHEMBL6390921 0.74 TYMS (0.39) PGAM1TYMSSMN1; SMN2KMT2AMAPT
SCHEMBL6394517 0.73 TYMS (0.37) PGAM1TYMSPOLB
SCHEMBL6390741 0.72 TYMS (0.38) PGAM1TYMSPOLBPTPN1
SCHEMBL6388568 0.72 TYMS (0.39) PGAM1TYMSSMN1; SMN2KMT2AMEN1
SCHEMBL1710169 0.71 TYMS (0.54) TYMSSMN1; SMN2KMT2AMAPTMEN1
SCHEMBL30203973 0.71 TYMS (0.54) TYMSSMN1; SMN2KMT2AMAPTMEN1
SCHEMBL6389534 0.70 ELANE (0.38) PGAM1TYMS

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-20200159115-A1 NOVEL SALT COMPOUND, CHEMICALLY AMPLIFIED RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-05-21 — — 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-20200159115-A1 NOVEL SALT COMPOUND, CHEMICALLY AMPLIFIED RESIST COMPOSITION, AND PATTERNING PROCESS ETV6, EEF2, EEF1G PGAM1 4847/4885TYMS 4174/4885PKLR 940/4885

“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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