SCHEMBL1805500

SCHEMBL1805500

COc1cc(CC[O])ccc1S(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA5A P35218 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.43
TAAR1 Q96RJ0 2/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
LMNA P02545 2/20 0.41
GLA P06280 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
ALOX5 P09917 1/20 0.41
OR51E2 Q9H255 1/20 0.41
PTPN1 P18031 2/20 0.41
AKR1B1 P15121 1/20 0.41

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
SCHEMBL1808052 0.87 CDC25A (0.51) CA5ACA12CA1CA2CA9
SCHEMBL1805503 0.87 CA5A (0.43) CA5ACA12CA1CA2CA9
SCHEMBL1808391 0.87 CA5A (0.44) CA5ACA12CA1CA2CA9
SCHEMBL1805269 0.86 TAAR1 (0.61) CA5ACA12CA1CA2CA9
SCHEMBL1805266 0.86 CA5A (0.42) CA5ACA12CA1CA2CA9
SCHEMBL28462906 0.84 CA5A (0.41) CA5ACA12CA1CA2CA9
SCHEMBL1807665 0.84 CA1 (0.54) CA5ACA12CA1CA2CA9
SCHEMBL16308959 0.83 TP53 (0.49) CA5ACA2SMN1; SMN2TSHRLMNA
SCHEMBL1808393 0.83 CA5A (0.44) CA5ACA12CA1CA2CA9
SCHEMBL1803309 0.82 CA5A (0.43) CA5ACA12CA1CA2CA9

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 CA5A 3316/4885CA12 1243/4885CA1 798/4885

“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.