SCHEMBL1809283

SCHEMBL1809283

NC(=O)c1c(O)cccc1S(N)(=O)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.55
STAT3 P40763 1/20 0.49
CA2 P00918 14/20 0.45
CA1 P00915 13/20 0.45
CA9 Q16790 9/20 0.45
CA12 O43570 5/20 0.45
CA7 P43166 4/20 0.45
CA14 Q9ULX7 3/20 0.45
THRB P10828 1/20 0.43
CA6 P23280 3/20 0.42
CA5A P35218 3/20 0.42
CA4 P22748 2/20 0.42
CA5B Q9Y2D0 2/20 0.42
CYP2C9 P11712 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL1806014 0.86 AURKA (0.45) CDK2STAT3CA2CA1CA9
SCHEMBL1804843 0.84 CA1 (0.61) CDK2STAT3CA2CA1CA9
SCHEMBL23849489 0.82 CA2 (0.49) CDK2STAT3CA2CA1CA9
SCHEMBL1809282 0.82 CA2 (0.44) CDK2STAT3CA2CA1CA9
SCHEMBL1668962 0.80 CA2 (0.59) CDK2CA2CA1CA9CA12
SCHEMBL9657062 0.79 F2 (0.47) CDK2CA2CA1CA9CA12
SCHEMBL27507813 0.75 CA1 (0.48) CDK2STAT3CA2CA1CA9
SCHEMBL22904424 0.75 CA1 (0.48) CDK2CA2CA1CA9CA12
SCHEMBL5518503 0.74 CDK2 (0.63) CDK2STAT3CA2CA1CA9
SCHEMBL29965023 0.73 CDK2 (0.61) CDK2STAT3CA2CA1CA9

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 CDK2 652/4885STAT3 3628/4885CA2 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.