SCHEMBL1806000

SCHEMBL1806000

COc1ccc(S(N)(=O)=O)cc1[NH]

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.53
PTGS1 P23219 8/20 0.53
CA2 P00918 4/20 0.51
CA1 P00915 3/20 0.51
CA9 Q16790 3/20 0.51
CA12 O43570 2/20 0.51
GAA P10253 2/20 0.50
POLB P06746 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
CA4 P22748 1/20 0.44

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
SCHEMBL2007287 0.82 POLB (0.70) PTGS2PTGS1CA2CA1CA9
SCHEMBL155352 0.81 POLB (0.48) PTGS2PTGS1CA2CA1GAA
SCHEMBL17476037 0.81 POLB (0.68) PTGS2PTGS1CA2CA1CA9
Potassium SCHEMBL17476038 0.81 POLB (0.68) PTGS2PTGS1CA2CA1CA9
Potassium SCHEMBL29831526 0.81 POLB (0.68) PTGS2PTGS1CA2CA1CA9
SCHEMBL8262950 0.79 PTGS1 (0.61) PTGS2PTGS1CA2CA1CA9
SCHEMBL6687404 0.79 MCOLN3 (0.58) PTGS2PTGS1CA2CA1CA9
SCHEMBL1806001 0.79 CA1 (0.65) PTGS2PTGS1CA2CA1CA9
SCHEMBL11497305 0.79 PKM (0.60) PTGS2PTGS1CA2CA1CA9
SCHEMBL30629805 0.79 CA1 (0.65) PTGS2PTGS1CA2CA1CA9

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 PTGS2 1638/4885PTGS1 589/4885CA2 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.