SCHEMBL1806130

SCHEMBL1806130

NC(=O)c1cc(S(N)(=O)=O)c2ccccc2c1O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 9/20 0.79
HSD17B10 Q99714 2/20 0.79
CYP2C9 P11712 1/20 0.79
LDHA P00338 1/20 0.53
THRB P10828 1/20 0.51
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.50
NSD2 O96028 1/20 0.50
POLB P06746 1/20 0.50
KMT2A Q03164 1/20 0.50
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA3 P07451 2/20 0.49
CA4 P22748 2/20 0.49
CA6 P23280 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA13 Q8N1Q1 2/20 0.49

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
SCHEMBL589651 0.88 MCL1 (1.00) MCL1HSD17B10CYP2C9THRBKDM4E
SCHEMBL1805696 0.86 MCL1 (0.59) MCL1HSD17B10CYP2C9THRBMAPT
SCHEMBL1806129 0.85 HSD17B10 (0.58) MCL1HSD17B10CYP2C9LDHAKDM4E
SCHEMBL13543238 0.84 MCL1 (0.70) MCL1HSD17B10CYP2C9LDHATHRB
SCHEMBL6695828 0.83 THRB (0.71) MCL1HSD17B10CYP2C9THRBKDM4E
SCHEMBL1807805 0.83 CDK2 (0.59) MCL1HSD17B10CYP2C9LDHATHRB
SCHEMBL13545216 0.83 MCL1 (0.68) MCL1HSD17B10CYP2C9LDHATHRB
SCHEMBL7535265 0.82 MCL1 (0.67) MCL1HSD17B10CYP2C9LDHATHRB
SCHEMBL3785715 0.81 MCL1 (0.65) MCL1HSD17B10CYP2C9LDHATHRB
SCHEMBL1803989 0.77 HSD17B10 (0.61) MCL1HSD17B10CYP2C9LDHATHRB

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 MCL1 3071/4885HSD17B10 2848/4885CYP2C9 692/4885

“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.