SCHEMBL1804584

SCHEMBL1804584

Cc1c(C[NH])cccc1S(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.40
TTR P02766 2/20 0.38
CYP1A2 P05177 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
SNCA P37840 1/20 0.33
FABP4 P15090 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
MAPK14 Q16539 1/20 0.32
POLB P06746 1/20 0.31
RECQL P46063 1/20 0.31
ESR2 Q92731 1/20 0.31
NR4A1 P22736 1/20 0.31
CTSB P07858 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
IDH1 O75874 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
SCHEMBL3367748 0.85 GABRA1 (0.45) MYCTTRCYP1A2MEN1KMT2A
SCHEMBL1806994 0.83 MYC (0.41) MYCTTRCYP1A2MEN1KMT2A
SCHEMBL1806998 0.83 PDCD1 (0.47) MYCTTRCYP1A2MEN1KMT2A
SCHEMBL1804588 0.81 CYP1A2 (0.42) MYCTTRCYP1A2MEN1KMT2A
SCHEMBL8647427 0.81 TTR (0.40) MYCTTRCYP1A2GABRA1GABRB2
SCHEMBL1808793 0.80 MYC (0.44) MYCTTRCYP1A2SNCAFABP4
SCHEMBL1807472 0.80 MYC (0.39) MYCTTRCYP1A2MEN1KMT2A
SCHEMBL1807475 0.80 MYC (0.39) MYCTTRCYP1A2MEN1KMT2A
SCHEMBL15988187 0.80 MGLL (0.39) MYCTTRCYP1A2
SCHEMBL14101134 0.80 MYC (0.50) MYCTTRCYP1A2MEN1KMT2A

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 MYC 3750/4885TTR 594/4885CYP1A2 487/4885

“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.