SCHEMBL1808663

SCHEMBL1808663

NS(=O)(=O)c1cccc2c(Cl)cc(Cl)c(O)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.51
CA2 P00918 6/20 0.50
CA1 P00915 5/20 0.50
CA9 Q16790 4/20 0.44
LDHA P00338 1/20 0.43
MCL1 Q07820 2/20 0.43
CYP2C9 P11712 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PTGES2 Q9H7Z7 2/20 0.42
CA12 O43570 3/20 0.40
CA3 P07451 3/20 0.40
CA4 P22748 3/20 0.40
CA6 P23280 3/20 0.40
CA5A P35218 3/20 0.40
CA7 P43166 3/20 0.40
CA13 Q8N1Q1 3/20 0.40
CA14 Q9ULX7 3/20 0.40
CA5B Q9Y2D0 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL1809342 0.87 TTR (0.46) CDK2CA2CA1MCL1HSD17B10
SCHEMBL1808662 0.81 CA2 (0.46) CDK2CA2CA1CA9LDHA
SCHEMBL1804991 0.79 CDK2 (0.55) CDK2CA2CA1CA9LDHA
SCHEMBL1803989 0.76 HSD17B10 (0.61) CDK2CA2CA1CA9LDHA
SCHEMBL1808977 0.75 CDK2 (0.62) CDK2CA2CA1CA9LDHA
SCHEMBL1804973 0.75 CA1 (0.46) CDK2CA2CA1CA9HSD17B10
SCHEMBL6657862 0.74 CA1 (0.55) CDK2CA2CA1CA9LDHA
SCHEMBL1804989 0.72 CA2 (0.47) CDK2CA2CA1CA9LDHA
SCHEMBL2230689 0.71 CDK2 (0.62) CDK2CA2CA1CA9LDHA
SCHEMBL1809341 0.70 TTR (0.46) CDK2MCL1CYP2C9TDP1MEN1

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 652/4885CA2 1279/4885CA1 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.