SCHEMBL3454245

SCHEMBL3454245

C=C(C)C(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(OCC(F)(F)S(=O)(=O)O)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 3/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 4/20 0.33
HTR7 P34969 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 4/20 0.32
HSD17B10 Q99714 2/20 0.32
PKM P14618 1/20 0.32
TP53 P04637 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
SCHEMBL3454523 0.85 MIF (0.36) POLBMAPTKMT2AMEN1CYP2C19
SCHEMBL3454435 0.84 ELANE (0.35) ELANEMAPTKMT2AHPGD
SCHEMBL13080656 0.83 ELANE (0.39) ELANEPOLBMAPTKMT2AMEN1
SCHEMBL3454420 0.81 ELANE (0.37) ELANEPOLBMAPTKMT2ACYP2C19
SCHEMBL4351663 0.80 MEN1 (0.38) MAPTKMT2AMEN1CYP2C19SMN1; SMN2
SCHEMBL1261674 0.79 ELANE (0.34) ELANEPOLBMAPTKMT2AMEN1
SCHEMBL3454657 0.78 ELANE (0.38) ELANEKMT2ASMN1; SMN2TSHR
SCHEMBL3756010 0.78 ALDH1A1 (0.38) ELANEPOLBMAPTKMT2AMEN1
SCHEMBL597324 0.78 TAAR1 (0.36) MAPTKMT2AMEN1CYP2C19TSHR
SCHEMBL4351667 0.76 MEN1 (0.46) MAPTKMT2AMEN1CYP2C19HTT

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 1905/4885POLB 6/4885MAPT 3300/4885

“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.