SCHEMBL1806905

SCHEMBL1806905

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.45
TP53 P04637 1/20 0.41
CREBBP Q92793 1/20 0.41
CASR P41180 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.35
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
POLB P06746 3/20 0.35
MAPT P10636 2/20 0.35
RECQL P46063 2/20 0.34
ESR2 Q92731 1/20 0.34
GAA P10253 2/20 0.33
GFER P55789 1/20 0.33
MYC P01106 1/20 0.32
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
SUMO2 P61956 1/20 0.31
SUMO1 P63165 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP3 Q9H4L4 1/20 0.31

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
SCHEMBL3395151 0.84 BRD4 (0.52) BRD4TP53CREBBPCASRRAPGEF4
SCHEMBL9176819 0.82 BRD4 (0.39) BRD4TP53CREBBPRAPGEF4ALDH1A1
SCHEMBL2862138 0.81 BRD4 (0.50) BRD4TP53CREBBPCASRRAPGEF4
SCHEMBL8469963 0.81 BRD4 (0.48) BRD4TP53CREBBPCASRRAPGEF4
SCHEMBL10638611 0.79 BRD4 (0.49) BRD4TP53CREBBPCASRRAPGEF4
SCHEMBL1810176 0.78 ALDH1A1 (0.43) BRD4RAPGEF4ALDH1A1SMN1; SMN2POLB
SCHEMBL1804216 0.77 L3MBTL1 (0.38) BRD4TP53CREBBPCASRRAPGEF4
SCHEMBL1805073 0.76 RAPGEF4 (0.36) BRD4TP53CREBBPRAPGEF4ALDH1A1
SCHEMBL9836721 0.76 BRD4 (0.50) BRD4TP53CREBBPCASRRAPGEF4
SCHEMBL11150631 0.74 BRD4 (0.45) BRD4TP53CREBBPCASRMAPT

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 4487/4885TP53 276/4885CREBBP 4835/4885

“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.