SCHEMBL3454657

SCHEMBL3454657

C=C(C)C(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CCCCCCC(=O)OCC(F)(F)S(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.38
PTGS2 P35354 1/20 0.36
ESR1 P03372 3/20 0.35
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
STS P08842 4/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.32
PAM P19021 2/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL3454889 0.86 HSD17B3 (0.40) ELANEKMT2APAM
SCHEMBL1261674 0.79 ELANE (0.34) ELANEKMT2ASMN1; SMN2TSHR
SCHEMBL3454245 0.78 ELANE (0.38) ELANEKMT2ASMN1; SMN2TSHR
SCHEMBL3454420 0.78 ELANE (0.37) ELANEKMT2ASMN1; SMN2
SCHEMBL6116870 0.76 HSD11B1 (0.32) ELANEKMT2ATSHR
SCHEMBL3454435 0.76 ELANE (0.35) ELANEKMT2A
SCHEMBL18785736 0.75 DGKA (0.53) KMT2APAMTSHR
SCHEMBL18785733 0.75 DGKA (0.53) KMT2APAMTSHR
SCHEMBL18785845 0.75 DGKA (0.53) KMT2APAMTSHR
SCHEMBL18785847 0.75 DGKA (0.53) KMT2APAMTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283102-B2 Photoacid generator, copolymer, chemically amplified resist composition, and method of forming pattern using the chemically amplified resist composition KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2012-10-09 US disclosed
US-20100143843-A1 PHOTOACID GENERATOR, COPOLYMER, CHEMICALLY AMPLIFIED RESIST COMPOSITION, AND METHOD OF FORMING PATTERN USING THE CHEMICALLY AMPLIFIED RESIST COMPOSITION KOREA KUMHO PETROCHEMICAL CO., LTD. 2010-06-10 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-20100143843-A1 PHOTOACID GENERATOR, COPOLYMER, CHEMICALLY AMPLIFIED RESIST COMPOSITION, AND METHOD OF FORMING PATTERN USING THE CHEMICALLY AMPLIFIED RESIST COMPOSITION POLL, PARG, POLH ELANE 1905/4885PTGS2 3128/4885ESR1 179/4885

“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.