SCHEMBL3491757

SCHEMBL3491757

Cc1ccc(N=Nc2cc(S(=O)(=O)O)c3c(S(=O)(=O)O)cccc3c2O)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.52
▸ HIF1A Q16665 2/20 0.52
▸ SENP2 Q9HC62 4/20 0.48
▸ SUMO2 P61956 3/20 0.48
▸ SUMO1 P63165 3/20 0.48
▸ SENP7 Q9BQF6 3/20 0.48
▸ ATIC P31939 2/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ PHLPP2 Q6ZVD8 1/20 0.46
▸ THRB P10828 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ APP P05067 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46

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
SCHEMBL3453258 0.85 CYP1A2 (0.67) ALDH1A1HIF1ASENP2SUMO2SUMO1
SCHEMBL14159448 0.77 SENP2 (0.78) ALDH1A1HIF1ASENP2SUMO2SUMO1
SCHEMBL11414243 0.76 CYP1A2 (0.47) ALDH1A1HIF1ASENP2SUMO2SUMO1
SCHEMBL23787780 0.76 PHLPP2 (0.67) ALDH1A1SENP2SUMO2SUMO1SENP7
SCHEMBL692673 0.73 BRD4 (0.62) ALDH1A1HIF1ASENP2SUMO2SUMO1
SCHEMBL6126114 0.73 BRD4 (0.62) ALDH1A1HIF1ASENP2SUMO2SUMO1
SCHEMBL1136824 0.73 BRD4 (0.62) ALDH1A1HIF1ASENP2SUMO2SUMO1
SCHEMBL23169369 0.72 SENP2 (0.57) ALDH1A1HIF1ASENP2SUMO2SUMO1
SCHEMBL344112 0.72 CYP1A2 (0.63) ALDH1A1HIF1ASENP2SUMO2SUMO1
SCHEMBL14188878 0.72 MEN1 (0.83) ALDH1A1HIF1ASENP2SUMO2SUMO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093028-A1 comprise peptides that bind target proteins, and that are further modified to have greater protease inhibitory activity and/or be produced at greater yields than the unmodified BBPIs; has a greater trypsin inhibitory activity; used in personal care DANISCO US INC. 2010-04-15 — — US disclosed
US-20090098074-A1 Keratin-Binding Effector Molecules Containing Reactive Dyes BASF SE (DE) 2009-04-16 — — 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-20090098074-A1 Keratin-Binding Effector Molecules Containing Reactive Dyes KRT18, KLK3, KLKB1 ALDH1A1 2661/4885HIF1A 4706/4885SENP2 3702/4885
US-20100093028-A1 comprise peptides that bind target proteins, and that are further modified to have greater protease inhibitory activity and/or be produced at greater yields than the unmodified BBPIs; has a greater trypsin inhibitory activity; used in personal care CPB1, SERPINB1, PNKP ALDH1A1 4805/4885HIF1A 4767/4885SENP2 203/4885

“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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