SCHEMBL13892256

SCHEMBL13892256

Cc1cc(S(=O)(=O)CCO)c(S(=O)(=O)O)cc1S(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 10/20 0.38
▸ BRD4 O60885 2/20 0.36
▸ TP53 P04637 1/20 0.34
▸ CREBBP Q92793 1/20 0.34
▸ CASR P41180 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ CA12 O43570 4/20 0.33
▸ CA1 P00915 4/20 0.33
▸ CA9 Q16790 4/20 0.33
▸ RAPGEF4 Q8WZA2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ CA3 P07451 1/20 0.30
▸ CA4 P22748 1/20 0.30
▸ CA6 P23280 1/20 0.30
▸ CA5A P35218 1/20 0.30
▸ CA7 P43166 1/20 0.30
▸ CA13 Q8N1Q1 1/20 0.30
▸ CA14 Q9ULX7 1/20 0.30

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
SCHEMBL13392001 0.81 BRD4 (0.34) CA2BRD4TP53CREBBPCASR
SCHEMBL9335216 0.79 CA2 (0.53) CA2CA12CA1CA9ALDH1A1
SCHEMBL8469963 0.78 BRD4 (0.48) CA2BRD4TP53CREBBPCASR
SCHEMBL13391994 0.78 CA2 (0.43) CA2BRD4TP53CREBBPCASR
SCHEMBL13892255 0.76 ALDH1A1 (0.47) CA2POLBALDH1A1
SCHEMBL13069425 0.76 ALDH1A1 (0.47) CA2POLBRECQLESR2ALDH1A1
SCHEMBL3395151 0.76 BRD4 (0.52) CA2BRD4TP53CREBBPCASR
SCHEMBL10891043 0.75 CA2 (0.53) CA2BRD4TP53CREBBPPOLB
SCHEMBL14468968 0.75 BRD4 (0.41) CA2BRD4TP53CREBBPCASR
SCHEMBL2862138 0.74 BRD4 (0.50) BRD4TP53CREBBPCASRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372161-B2 Method for the reactive coloring of leather BASF SE (DE) 2013-02-12 — — US disclosed
US-20090098074-A1 Keratin-Binding Effector Molecules Containing Reactive Dyes BASF SE (DE) 2009-04-16 — — US disclosed
US-20070033746-A1 Method for the reactive coloring of leather BASF AKTIENGESSELLSCHAFT (DE) 2007-02-15 — — 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-20090098074-A1 Keratin-Binding Effector Molecules Containing Reactive Dyes KRT18, KLK3, KLKB1 CA2 2620/4885BRD4 870/4885TP53 122/4885

“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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