SCHEMBL19985723

SCHEMBL19985723

CCCCCCCCCCCCOc1c(F)c(F)c(S(=O)(=O)ON2C(=O)c3cccc4cc(CCCC)cc(c34)C2=O)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.42
▸ KDM4E B2RXH2 9/20 0.41
▸ ALDH1A1 P00352 8/20 0.41
▸ MAPT P10636 8/20 0.41
▸ HPGD P15428 7/20 0.41
▸ KMT2A Q03164 6/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ HTT P42858 2/20 0.41
▸ LMNA P02545 2/20 0.37
▸ THRB P10828 1/20 0.37
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ XBP1 P17861 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CLTC Q00610 4/20 0.35
▸ F2 P00734 3/20 0.34
▸ VDR P11473 1/20 0.34
▸ CYP1B1 Q16678 1/20 0.32
▸ RXFP1 Q9HBX9 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
SCHEMBL19985739 0.91 KDM4E (0.47) TDP1KDM4EALDH1A1MAPTHPGD
SCHEMBL19791315 0.90 KDM4E (0.43) TDP1KDM4EALDH1A1MAPTHPGD
SCHEMBL19999242 0.90 TDP1 (0.52) TDP1KDM4EALDH1A1MAPTHPGD
SCHEMBL19985732 0.86 KDM4E (0.42) TDP1KDM4EALDH1A1MAPTHPGD
SCHEMBL19791395 0.86 KDM4E (0.43) TDP1KDM4EALDH1A1MAPTHPGD
SCHEMBL17231435 0.82 MAPT (0.38) TDP1KDM4EALDH1A1MAPTHPGD
SCHEMBL19985735 0.80 TDP1 (0.46) TDP1KDM4EALDH1A1MAPTHPGD
SCHEMBL19985728 0.79 TDP1 (0.51) TDP1KDM4EALDH1A1MAPTHPGD
SCHEMBL19985731 0.78 KDM4E (0.65) TDP1KDM4EALDH1A1MAPTHPGD
SCHEMBL19791321 0.78 KDM4E (0.65) TDP1KDM4EALDH1A1MAPTHPGD

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-20180079724-A1 SULFONIC ACID DERIVATIVE COMPOUND, PHOTOACID GENERATOR, RESIST COMPOSITION, CATIONIC POLYMERIZATION INITIATOR, AND CATIONICALLY POLYMERIZABLE COMPOSITION ADEKA CORPORATION (JP) 2018-03-22 — — 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-20180079724-A1 SULFONIC ACID DERIVATIVE COMPOUND, PHOTOACID GENERATOR, RESIST COMPOSITION, CATIONIC POLYMERIZATION INITIATOR, AND CATIONICALLY POLYMERIZABLE COMPOSITION ALAD, ADSL, ACSL3 TDP1 4875/4885KDM4E 3505/4885ALDH1A1 352/4885

“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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