SCHEMBL13829100

SCHEMBL13829100

CCCCCCCCSc1ccc2c3c(cccc13)C(=O)OC2=O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 3/20 0.57
▸ SOAT1 P35610 9/20 0.43
▸ FGFR1 P11362 2/20 0.40
▸ PTGS2 P35354 3/20 0.39
▸ P4HB P07237 1/20 0.39
▸ BCL2 P10415 2/20 0.39
▸ BCL2L1 Q07817 2/20 0.39
▸ MCL1 Q07820 2/20 0.39

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
SCHEMBL11345920 1.00 TYMS (0.57) TYMSSOAT1FGFR1PTGS2P4HB
SCHEMBL1354118 0.94 TYMS (0.60) TYMSSOAT1FGFR1PTGS2BCL2
SCHEMBL17617816 0.89 TYMS (0.62) TYMSSOAT1FGFR1BCL2BCL2L1
SCHEMBL13829120 0.83 POLB (0.48) TYMSSOAT1FGFR1PTGS2P4HB
SCHEMBL6516581 0.80 TYMS (0.59) TYMSFGFR1BCL2
SCHEMBL28663739 0.79 POLB (0.56) TYMSSOAT1FGFR1
SCHEMBL11343907 0.78 MEN1 (0.49) TYMSFGFR1
SCHEMBL13829210 0.78 TYMS (0.60) TYMSFGFR1PTGS2BCL2
SCHEMBL18957987 0.78 MAPT (0.41) TYMSSOAT1FGFR1PTGS2
SCHEMBL13829366 0.77 KMT2A (0.50) TYMSSOAT1FGFR1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2524914-B1 SULFONIC ACID DERIVATIVE COMPOUND AND NAPHTHALIC ACID DERIVATIVE COMPOUND ADEKA CORP (JP) 2019-07-03 — — EP disclosed
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 TYMS 2935/4885SOAT1 2427/4885FGFR1 119/4885

“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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