SCHEMBL1804876

SCHEMBL1804876

Cc1c(C[NH])cc(S(=O)(=O)O)cc1S(=O)(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
ING2 Q9H160 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HSD17B10 Q99714 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CASP6 P55212 1/20 0.31
TIMP3 P35625 2/20 0.31
RECQL P46063 2/20 0.31
NSD2 O96028 2/20 0.31
ENPP3 O14638 1/20 0.31
ENTPD3 O75355 1/20 0.31
NR1I2 O75469 1/20 0.31
USP2 O75604 1/20 0.31
PRKD3 O94806 1/20 0.31
TDP2 O95551 1/20 0.31
CBX7 O95931 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
SCHEMBL1803301 0.86 LCK (0.32) LCKFYNING2HSD17B10
SCHEMBL1809351 0.84 LCK (0.34) LCKFYNING2HSD17B10ALDH1A1
SCHEMBL1809348 0.84 LCK (0.34) LCKFYNING2HSD17B10ALDH1A1
SCHEMBL1804879 0.82 ALDH1A1 (0.34) LCKFYNING2HSD17B10ALDH1A1
SCHEMBL1807219 0.81 LCK (0.32) LCKFYNING2HSD17B10ALDH1A1
SCHEMBL1807222 0.81 LCK (0.32) LCKFYNING2HSD17B10ALDH1A1
SCHEMBL5125062 0.80 LCK (0.43) LCKFYNING2MEN1KMT2A
SCHEMBL1803303 0.79 NT5E (0.34) LCKFYNMEN1KMT2AHSD17B10
SCHEMBL1805061 0.78 SLC2A1 (0.31) LCKFYNING2
SCHEMBL9337495 0.76 LCK (0.36) LCKFYNING2MEN1KMT2A

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 LCK 3120/4885FYN 3062/4885ING2 556/4885

“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.