SCHEMBL10076070

SCHEMBL10076070

CCOc1cc(S(=O)(=O)O)c2ccc3c(S(=O)(=O)O)cc(S(=O)(=O)O)c4ccc1c2c43

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 5/20 0.42
▸ SLC2A1 P11166 2/20 0.40
▸ CTDSP1 Q9GZU7 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ MAPK1 P28482 3/20 0.38
▸ CYP3A4 P08684 3/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ THRB P10828 2/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ BRCA1 P38398 2/20 0.38
▸ RECQL P46063 2/20 0.38
▸ BLM P54132 2/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ SLC10A1 Q14973 1/20 0.38

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
SCHEMBL9614394 0.93 CA12 (0.43) HSD17B10SLC2A1CTDSP1ALDH1A1MEN1
SCHEMBL19274350 0.92 HSD17B10 (0.40) HSD17B10SLC2A1CTDSP1ALDH1A1MEN1
SCHEMBL17695444 0.88 HSD17B10 (0.39) HSD17B10SLC2A1CTDSP1ALDH1A1MEN1
SCHEMBL9614432 0.84 TRPV4 (0.49) HSD17B10SLC2A1ALDH1A1MEN1KMT2A
SCHEMBL31187734 0.84 S1PR3 (0.49) SLC2A1ALDH1A1MEN1KMT2AMAPT
SCHEMBL4778946 0.84 S1PR3 (0.49) SLC2A1ALDH1A1MEN1KMT2AMAPT
SCHEMBL31187737 0.84 S1PR3 (0.49) SLC2A1ALDH1A1MEN1KMT2AMAPT
SCHEMBL4783019 0.84 S1PR3 (0.49) SLC2A1ALDH1A1MEN1KMT2AMAPT
SCHEMBL3104434 0.84 S1PR3 (0.49) SLC2A1ALDH1A1MEN1KMT2AMAPT
SCHEMBL31187743 0.84 S1PR3 (0.49) SLC2A1ALDH1A1MEN1KMT2AMAPT

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-20170240570-A1 NOVEL SMALL MOLECULE ANTICANCER AGENTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2017-08-24 — — US disclosed
US-9513284-B2 Pyrenyloxysulfonic acid fluorescent agents Life Technologies Corporation (US) 2016-12-06 — — US disclosed
US-20140193926-A1 PYRENYLOXYSULFONIC ACID FLUORESCENT AGENTS Life Technologies Corporation (US) 2014-07-10 — — US disclosed
US-8268886-B2 Pyrenyloxysulfonic acid fluorescent agents Life Technologies Corporation (US) 2012-09-18 — — US disclosed
US-20120045848-A1 PYRENYLOXYSULFONIC ACID FLUORESCENT AGENTS Life Technologies Corporation (US) 2012-02-23 — — 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 (2 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-20120045848-A1 PYRENYLOXYSULFONIC ACID FLUORESCENT AGENTS NOP56, ANXA5, ANXA6 HSD17B10 3961/4885SLC2A1 4860/4885CTDSP1 2694/4885
US-20170240570-A1 NOVEL SMALL MOLECULE ANTICANCER AGENTS MKI67, TP53, PCNA HSD17B10 2573/4885SLC2A1 2297/4885CTDSP1 569/4885

“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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