SCHEMBL1805699

SCHEMBL1805699

C[N]c1cc(S(=O)(=O)O)c(C)c(S(=O)(=O)O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.38
▸ SENP2 Q9HC62 4/20 0.35
▸ SUMO2 P61956 3/20 0.35
▸ SUMO1 P63165 3/20 0.35
▸ SENP7 Q9BQF6 3/20 0.35
▸ ATIC P31939 2/20 0.35
▸ RAD1 O60671 1/20 0.35
▸ P2RY6 Q15077 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ CASP6 P55212 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ELAVL1 Q15717 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL1805742 0.78 MPL (0.33) BRD4SENP2SUMO2SUMO1SENP7
SCHEMBL1803018 0.78 BRD4 (0.45) BRD4SENP2SUMO2SUMO1SENP7
SCHEMBL4968224 0.77 MYC (0.36) BRD4SENP2SUMO2SUMO1SENP7
SCHEMBL7132765 0.77 ALDH1A1 (0.44) BRD4ALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL5125062 0.75 LCK (0.43) BRD4SENP2SUMO2SUMO1SENP7
SCHEMBL1804053 0.74 BRD4 (0.49) BRD4SENP2SUMO2SUMO1SENP7
SCHEMBL11337312 0.73 ALDH1A1 (0.50) BRD4SENP2SUMO2SUMO1SENP7
SCHEMBL8889058 0.73 MYC (0.34) BRD4ALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL1804877 0.72 PRMT1 (0.36) BRD4SENP2SUMO2SUMO1SENP7
SCHEMBL1804207 0.71 POLB (0.38) BRD4ALDH1A1L3MBTL1KDM4EMEN1

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-8404036-B2 Water-soluble near-infrared absorbing coloring matters and aqueous inks containing same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-26 — — US disclosed
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-05-26 — — 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-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME IK, RB1, COL1A1 BRD4 4487/4885SENP2 2710/4885SUMO2 3220/4885

“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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