SCHEMBL1803095

SCHEMBL1803095

CC(=O)Nc1ccc2cc(S(=O)(=O)O)cc([O])c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.56
CASP6 P55212 3/20 0.50
PRMT1 Q99873 2/20 0.49
ENPP2 Q13822 2/20 0.47
NSD2 O96028 1/20 0.46
DUSP3 P51452 1/20 0.46
PTPN5 P54829 1/20 0.46
CASP7 P55210 1/20 0.46
PTPN11 Q06124 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
GLA P06280 1/20 0.45
MAPT P10636 1/20 0.45
TNNI3 P19429 1/20 0.45
TNNT2 P45379 1/20 0.45
RAB9A P51151 1/20 0.45
TNNC1 P63316 1/20 0.45
RUNX1 Q01196 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL6124913 0.87 ENPP2 (0.59) NT5ECASP6PRMT1ENPP2NSD2
SCHEMBL1803097 0.86 NT5E (0.75) NT5ECASP6PRMT1ENPP2NSD2
SCHEMBL950400 0.82 SNCA (0.59) NT5ECASP6PRMT1ENPP2KDM4E
SCHEMBL6079123 0.80 CASP6 (0.56) NT5ECASP6PRMT1ENPP2KDM4E
SCHEMBL8784484 0.80 SNCA (0.58) NT5ECASP6PRMT1ENPP2KDM4E
Water SCHEMBL11035834 0.80 SNCA (0.58) NT5ECASP6PRMT1ENPP2KDM4E
SCHEMBL6079107 0.79 CASP6 (0.55) NT5ECASP6PRMT1ENPP2KDM4E
SCHEMBL1802329 0.79 CASP6 (0.52) NT5ECASP6PRMT1ENPP2KDM4E
SCHEMBL3481043 0.78 PRMT1 (0.78) NT5ECASP6PRMT1NSD2DUSP3
SCHEMBL9464065 0.78 NT5E (0.64) NT5ECASP6PRMT1ENPP2NSD2

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 NT5E 4656/4885CASP6 4737/4885PRMT1 192/4885

“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.