SCHEMBL6516581

SCHEMBL6516581

O=C1OC(=O)c2ccc(SCCO)c3cccc1c23

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 5/20 0.59
▸ FGFR1 P11362 5/20 0.51
▸ S100A4 P26447 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ CDC25A P30304 2/20 0.42
▸ CDC25B P30305 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ APAF1 O14727 1/20 0.42
▸ MAP2K7 O14733 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ GMNN O75496 1/20 0.42
▸ TDP2 O95551 1/20 0.42

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
SCHEMBL17617816 0.85 TYMS (0.62) TYMSFGFR1MAPTKMT2AALDH1A1
SCHEMBL1354118 0.82 TYMS (0.60) TYMSFGFR1S100A4MAPTKMT2A
SCHEMBL13829100 0.80 TYMS (0.57) TYMSFGFR1BCL2
SCHEMBL11345920 0.80 TYMS (0.57) TYMSFGFR1BCL2
SCHEMBL13829210 0.77 TYMS (0.60) TYMSFGFR1MAPTKMT2AALDH1A1
SCHEMBL13829269 0.76 TYMS (0.59) TYMSFGFR1MAPTKMT2AALDH1A1
SCHEMBL15275297 0.74 TYMS (1.00) TYMSFGFR1MAPTKMT2AALDH1A1
SCHEMBL17624863 0.74 TYMS (0.58) TYMSFGFR1MAPTKMT2AALDH1A1
SCHEMBL25413385 0.72 MAPK1 (0.41) FGFR1S100A4MAPTKMT2ACDC25A
SCHEMBL10267341 0.72 TYMS (0.70) TYMSMAPTKMT2AALDH1A1MEN1

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 10 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
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
EP-1051655-B1 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY ISTA PHARMACEUTICALS INC (US) 2005-09-28 — — EP disclosed
EP-1051655-A4 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY ISTA PHARMACEUTICALS INC (US) 2003-03-19 — — EP disclosed
US-20010016731-A1 Methods and apparatus for accelerated orthokeratology DEVORE DALE (US) 2001-08-23 — — US disclosed
US-6161544-A Methods for accelerated orthokeratology KERATOFORM, INC. (US) 2000-12-19 — — US disclosed
EP-1051655-A1 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY Ista Pharmaceuticals, Inc. (US) 2000-11-15 — — EP disclosed
WO-1999039238-A1 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY KERATOFORM, INC. (US) 1999-08-05 — — WO 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 2935/4885FGFR1 119/4885S100A4 542/4885

“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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