SCHEMBL1805243

SCHEMBL1805243

Cc1cc(CC[O])ccc1S(N)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDIA6 Q15084 1/20 0.50
PTGES2 Q9H7Z7 4/20 0.40
CA2 P00918 9/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CA1 P00915 5/20 0.36
CA9 Q16790 5/20 0.36
CA12 O43570 4/20 0.36
CA5A P35218 3/20 0.36
CA14 Q9ULX7 3/20 0.36
CA4 P22748 2/20 0.36
CA6 P23280 2/20 0.36
CA7 P43166 2/20 0.36
CA5B Q9Y2D0 2/20 0.36
CA13 Q8N1Q1 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SKP2 Q13309 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL1803955 0.86 GLO1 (0.42) PDIA6PTGES2CA2ALDH1A1KDM4E
SCHEMBL1807162 0.85 PDIA6 (0.53) PDIA6PTGES2CA2L3MBTL1ALDH1A1
SCHEMBL1805245 0.84 CA2 (0.53) PDIA6PTGES2CA2L3MBTL1ALDH1A1
SCHEMBL1809231 0.82 ESR2 (0.39) PDIA6L3MBTL1ALDH1A1SKP2LMNA
SCHEMBL22015596 0.81 PDIA6 (0.53) PDIA6CA2L3MBTL1ALDH1A1KDM4E
SCHEMBL8405351 0.81 PDIA6 (0.53) PDIA6PTGES2CA2L3MBTL1ALDH1A1
SCHEMBL1807165 0.80 PDIA6 (0.51) PDIA6PTGES2CA2L3MBTL1ALDH1A1
SCHEMBL1807665 0.78 CA1 (0.54) CA2KDM4ECA1CA9CA12
SCHEMBL22015598 0.77 CA2 (0.50) PDIA6CA2L3MBTL1ALDH1A1KDM4E
SCHEMBL1808299 0.76 KDM4E (0.41) PDIA6PTGES2CA2ALDH1A1KDM4E

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 PDIA6 2683/4885PTGES2 3086/4885CA2 1279/4885

“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.