SCHEMBL13829365

SCHEMBL13829365

CCOCOCCSc1cc2c3c(cccc3c1)C(=O)N(O)C2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERCC1 P07992 1/20 0.47
▸ FEN1 P39748 1/20 0.47
▸ ERCC4 Q92889 1/20 0.47
▸ CYP1B1 Q16678 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.38
▸ HEXA P06865 1/20 0.37
▸ HEXB P07686 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ POLB P06746 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PABPC1 P11940 1/20 0.36
▸ XBP1 P17861 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMARCA2 P51531 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36

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
SCHEMBL13829125 0.84 TDP1 (0.40) CYP1B1TDP1RXFP1HEXAHEXB
SCHEMBL13829363 0.82 TYMS (0.43) TDP1
SCHEMBL13829142 0.81 KDM4E (0.39) CYP1B1TDP1RXFP1HEXAHEXB
SCHEMBL13829158 0.80 ERCC1 (0.50) ERCC1FEN1ERCC4CYP1B1TDP1
SCHEMBL13829104 0.80 KMT2A (0.47) ERCC1FEN1ERCC4CYP1B1TDP1
SCHEMBL13829147 0.79 KDM4E (0.41) CYP1B1TDP1HEXAHEXBKDM4E
SCHEMBL13833402 0.77 KDM4E (0.35) CYP1B1TDP1RXFP1HEXAHEXB
SCHEMBL13829105 0.75 ERCC1 (0.50) ERCC1FEN1ERCC4CYP1B1TDP1
SCHEMBL7706739 0.73 ERCC1 (0.57) ERCC1FEN1ERCC4CYP1B1TDP1
SCHEMBL13829350 0.72 KMT2A (0.39) ALDH1A1KMT2AMEN1CYP1A2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680268-B2 Sulfonic acid derivative compound and novel naphthalic acid derivative compound ADEKA CORPORATION (JP) 2014-03-25 — — US disclosed
US-8680268-B2 Sulfonic acid derivative compound and novel naphthalic acid derivative compound ADEKA CORPORATION (JP) 2014-03-25 — — US disclosed
EP-2524914-A1 NOVEL SULFONIC ACID DERIVATIVE COMPOUND AND NOVEL NAPHTHALIC ACID DERIVATIVE COMPOUND Adeka Corporation (JP) 2012-11-21 — — EP disclosed
US-20120289697-A1 NOVEL SULFONIC ACID DERIVATIVE COMPOUND AND NOVEL NAPHTHALIC ACID DERIVATIVE COMPOUND ADEKA CORPORATION (JP) 2012-11-15 — — US disclosed
US-20120289697-A1 NOVEL SULFONIC ACID DERIVATIVE COMPOUND AND NOVEL NAPHTHALIC ACID DERIVATIVE COMPOUND ADEKA CORPORATION (JP) 2012-11-15 — — 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-20120289697-A1 NOVEL SULFONIC ACID DERIVATIVE COMPOUND AND NOVEL NAPHTHALIC ACID DERIVATIVE COMPOUND TPD52L2, TST, SULT1A1 ERCC1 2806/4885FEN1 4099/4885ERCC4 3219/4885

“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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