SCHEMBL2742218

SCHEMBL2742218

C=C(C)C(=O)OCCCCCCCCCCCCCCCCCCCCOS(=O)(=O)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 2/20 0.37
CA12 O43570 4/20 0.34
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
CA9 Q16790 4/20 0.34
STS P08842 6/20 0.32
CPT1A P50416 1/20 0.31
ABL1 P00519 1/20 0.30
EGFR P00533 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 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
SCHEMBL18499650 0.93 POLB (0.35) POLBAPEX1HTTTDP1CA12
SCHEMBL2742214 0.86 POLB (0.49) POLBAPEX1HTTTDP1TSHR
SCHEMBL17409198 0.83 STS (0.34) CA12CA1CA2CA9STS
SCHEMBL16638153 0.83 STS (0.34) CA12CA1CA2CA9STS
SCHEMBL9963667 0.82 KMT2A (0.35) POLBABL1EGFRMEN1ALDH1A1
SCHEMBL2742209 0.82 POLB (0.34) POLBAPEX1HTTTDP1
SCHEMBL2742200 0.80 STS (0.43) POLBAPEX1HTTTDP1TSHR
SCHEMBL13160579 0.79 STS (0.48) POLBAPEX1HTTTDP1STS
SCHEMBL103886 0.78 POLB (0.47) POLBAPEX1HTTTDP1TSHR
SCHEMBL2742190 0.78 ELANE (0.44) POLBCA1CA2CA9STS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051403-B2 Photosensitive composition, pattern forming method using the photosensitive composition and compound for use in the photosensitive composition FUJIFILM CORPORATION (JP) 2015-06-09 US disclosed
US-8637220-B2 Actinic ray-sensitive or radiation-sensitive resin composition, and resist film and pattern forming method using the composition FUJIFILM CORPORATION (JP) 2014-01-28 US disclosed
US-20120003583-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, AND RESIST FILM AND PATTERN FORMING METHOD USING THE COMPOSITION FUJIFILM CORPORATION (JP) 2012-01-05 US disclosed
US-20100233617-A1 PHOTOSENSITIVE COMPOSITION, PATTERN FORMING METHOD USING THE PHOTOSENSITIVE COMPOSITION AND COMPOUND FOR USE IN THE PHOTOSENSITIVE COMPOSITION FUJIFILM CORPORATION (JP) 2010-09-16 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-20100233617-A1 PHOTOSENSITIVE COMPOSITION, PATTERN FORMING METHOD USING THE PHOTOSENSITIVE COMPOSITION AND COMPOUND FOR USE IN THE PHOTOSENSITIVE COMPOSITION ZYX, CD79B, TERB1 POLB 728/4885APEX1 945/4885HTT 3938/4885

“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.