SCHEMBL1810089

SCHEMBL1810089

[NH]c1ccc(S(N)(=O)=O)c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 1/20 0.62
▸ CA2 P00918 8/20 0.53
▸ CA1 P00915 7/20 0.53
▸ CA9 Q16790 7/20 0.53
▸ CDK2 P24941 1/20 0.52
▸ CA12 O43570 5/20 0.43
▸ CA6 P23280 4/20 0.43
▸ CA4 P22748 3/20 0.43
▸ CA5A P35218 3/20 0.43
▸ CA7 P43166 3/20 0.43
▸ CA5B Q9Y2D0 3/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CA14 Q9ULX7 2/20 0.43
▸ FTO Q9C0B1 1/20 0.43
▸ MCL1 Q07820 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CA3 P07451 1/20 0.38
▸ PLA2G7 Q13093 1/20 0.38
▸ CA13 Q8N1Q1 1/20 0.38
▸ PNMT P11086 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
SCHEMBL1803499 0.88 CDK2 (0.62) LDHACA2CA1CA9CDK2
SCHEMBL158215 0.79 TTR (0.50) LDHAHSD17B10
SCHEMBL1808728 0.77 LMNA (0.43) LDHACA2CA1CA9CDK2
SCHEMBL1809176 0.77 LMNA (0.43) LDHACA2CA1CA9CA12
SCHEMBL9138970 0.77 CDK2 (0.78) LDHACA2CA1CA9CDK2
SCHEMBL108422 0.77 LDHA (0.64) LDHACA2CA1CA9CDK2
SCHEMBL1805457 0.77 LDHA (1.00) LDHACA2CA1CA9CDK2
SCHEMBL15514563 0.77 LDHA (0.64) LDHACA2CA1CA9CDK2
SCHEMBL1805454 0.77 LDHA (0.64) LDHACA2CA1CA9CDK2
SCHEMBL28014130 0.76 LDHA (0.58) LDHACA2CA1CA9CDK2

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 LDHA 2149/4885CA2 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.

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