SCHEMBL1807206

SCHEMBL1807206

Cc1cccc(S(N)(=O)=O)c1C[O]

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 14/20 0.42
CA1 P00915 12/20 0.42
CA9 Q16790 12/20 0.42
CA4 P22748 4/20 0.42
CA7 P43166 4/20 0.42
CA12 O43570 5/20 0.41
CA6 P23280 3/20 0.41
CA5A P35218 3/20 0.41
CA5B Q9Y2D0 2/20 0.41
CYP2C9 P11712 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CDK2 P24941 1/20 0.40
PDIA6 Q15084 1/20 0.38
MAPK1 P28482 1/20 0.37

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
SCHEMBL1804570 0.85 CA2 (0.41) CA2CA1CA9CA4CA7
SCHEMBL1807209 0.83 CDK2 (0.43) CA2CA1CA9CA4CA7
SCHEMBL1806151 0.81 MYC (0.41) CA2CA1CA9CA4CA7
SCHEMBL1804572 0.80 CA2 (0.41) CA2CA1CA9CA4CA7
SCHEMBL1805882 0.77 PTGES2 (0.45) CA2CA1CA9CA4CA7
SCHEMBL395822 0.76 CYP1A2 (0.43) CA2CA1CA9CA7CYP2C9
SCHEMBL4177589 0.76 CA2 (0.44) CA2CA1CA9CA4CA7
SCHEMBL1802842 0.76 PDIA6 (0.40) CA2CA1CA9CA4CA7
SCHEMBL401308 0.75 CA2 (0.47) CA2CA1CA9CA4CA7
SCHEMBL31310995 0.75 CA2 (0.47) CA2CA1CA9CA4CA7

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 CA2 1279/4885CA1 798/4885CA9 1071/4885

“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.