SCHEMBL14742104

SCHEMBL14742104

Nc1cc(S(=O)(=O)O)c2cc(S(=O)(=O)O)c3ccc(O)c4ccc1c2c43

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.46
▸ AURKB Q96GD4 1/20 0.46
▸ NQO1 P15559 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ HSD17B10 Q99714 4/20 0.42
▸ NT5E P21589 3/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ TNNI3 P19429 1/20 0.38
▸ TNNT2 P45379 1/20 0.38
▸ TNNC1 P63316 1/20 0.38
▸ HKDC1 Q2TB90 1/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CASP6 P55212 2/20 0.38
▸ MAPT P10636 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ THRB P10828 2/20 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
SCHEMBL6818347 0.88 AURKA (0.50) AURKAAURKBNQO1ALDH1A1HSD17B10
SCHEMBL3260824 0.87 AURKA (0.49) AURKAAURKBNQO1ALDH1A1HSD17B10
SCHEMBL461765 0.86 TNNI3 (0.42) AURKAAURKBALDH1A1HSD17B10NT5E
SCHEMBL21113847 0.86 TNNI3 (0.42) AURKAAURKBNQO1ALDH1A1HSD17B10
SCHEMBL461763 0.86 TNNI3 (0.42) AURKAAURKBNQO1ALDH1A1HSD17B10
SCHEMBL31229289 0.86 AURKA (0.46) AURKAAURKBNQO1ALDH1A1HSD17B10
SCHEMBL29384070 0.86 AURKA (0.46) AURKAAURKBNQO1ALDH1A1HSD17B10
SCHEMBL338441 0.86 AURKA (0.46) AURKAAURKBNQO1ALDH1A1HSD17B10
SCHEMBL572527 0.85 AURKA (0.50) AURKAAURKBNQO1ALDH1A1HSD17B10
SCHEMBL29393812 0.85 AURKA (0.50) AURKAAURKBNQO1ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180074015-A1 Fluorescent pI Markers for Isoelectric Focusing Separations and Fluorescent Labeling THE TEXAS A&M UNIVERSITY SYSTEM (US) 2018-03-15 — — US disclosed
US-9689841-B2 Fluorescent pI markers for isoelectric focusing separations and fluorescent labeling THE TEXAS A&M UNIVERSITY SYSTEM (US) 2017-06-27 — — US disclosed
US-20140377875-A1 FLUORESCENT PI MARKERS FOR ISOELECTRIC FOCUSING SEPARATIONS AND FLUORESCENT LABELING THE TEXAS A&M UNIVERSITY SYSTEM (US) 2014-12-25 — — US disclosed
WO-2013033046-A2 FLUORESCENT PL MARKERS FOR ISOELECTRIC FOCUSING SEPARATIONS AND FLUORESCENT LABELING VIGH GYULA (US) 2013-03-07 — — 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 (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-20180074015-A1 Fluorescent pI Markers for Isoelectric Focusing Separations and Fluorescent Labeling PDAP1, PAIP1, IK AURKA 1604/4885AURKB 1759/4885NQO1 4585/4885
US-20140377875-A1 FLUORESCENT PI MARKERS FOR ISOELECTRIC FOCUSING SEPARATIONS AND FLUORESCENT LABELING PLG, PDAP1, PITPNB AURKA 1350/4885AURKB 1629/4885NQO1 4634/4885

“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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