SCHEMBL1808299

SCHEMBL1808299

Cc1c(S(N)(=O)=O)cc(CC[O])cc1S(N)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PDIA6 Q15084 1/20 0.35
CA2 P00918 10/20 0.33
CA1 P00915 7/20 0.33
CA9 Q16790 7/20 0.33
CA12 O43570 5/20 0.33
CA14 Q9ULX7 3/20 0.33
APEX1 P27695 1/20 0.33
CYP2C19 P33261 1/20 0.33
PTGES2 Q9H7Z7 3/20 0.33
CA4 P22748 2/20 0.33
CA6 P23280 2/20 0.33
CA5A P35218 2/20 0.33
CA7 P43166 2/20 0.33
CA13 Q8N1Q1 2/20 0.33
CA5B Q9Y2D0 2/20 0.33
LMNA P02545 1/20 0.32
CYP2C9 P11712 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL1805858 0.91 ALDH1A1 (0.35) KDM4EALDH1A1PDIA6CA2CA1
SCHEMBL1810994 0.85 ALDH1A1 (0.45) KDM4EALDH1A1PDIA6CA2CA1
SCHEMBL1808301 0.82 CA2 (0.48) KDM4EALDH1A1PDIA6CA2CA1
SCHEMBL1805954 0.80 POLB (0.36) ALDH1A1LMNA
SCHEMBL1805730 0.79 CA1 (0.47) KDM4EALDH1A1PDIA6CA2CA1
SCHEMBL1803955 0.79 GLO1 (0.42) KDM4EALDH1A1PDIA6CA2CA1
SCHEMBL1810995 0.78 CA2 (0.45) KDM4EALDH1A1PDIA6CA2CA1
SCHEMBL1804063 0.77 ALDH1A1 (0.38) KDM4EALDH1A1PDIA6CA2CA1
SCHEMBL1805863 0.77 CA2 (0.43) KDM4EALDH1A1PDIA6CA2CA1
SCHEMBL1805243 0.76 PDIA6 (0.50) KDM4EALDH1A1PDIA6CA2CA1

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 KDM4E 1406/4885ALDH1A1 218/4885PDIA6 2683/4885

“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.