SCHEMBL1807923

SCHEMBL1807923

[O]c1ccc2cccc(S(=O)(=O)O)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.46
CTRB1 P17538 1/20 0.42
FABP4 P15090 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
MAPK14 Q16539 1/20 0.41
MPL P40238 3/20 0.41
CTRC Q99895 2/20 0.41
NR4A1 P22736 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
ATIC P31939 1/20 0.40
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
HCRTR1 O43613 1/20 0.37
AURKA O14965 1/20 0.37
AURKB Q96GD4 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
SCHEMBL686665 0.84 TTR (0.55) TTRCTRB1FABP4CCNA2CDK2
SCHEMBL29987260 0.82 TTR (0.53) TTRCTRB1FABP4CCNA2CDK2
SCHEMBL686854 0.82 TTR (0.53) TTRCTRB1FABP4CCNA2CDK2
SCHEMBL5146252 0.82 TTR (0.53) TTRCTRB1FABP4CCNA2CDK2
SCHEMBL29370096 0.81 ALDH1A1 (0.54) TTRCTRB1FABP4CCNA2CDK2
SCHEMBL1806509 0.81 CA1 (0.63) CDK2CA1CA2CA9ATIC
SCHEMBL479266 0.81 ALDH1A1 (0.54) TTRCTRB1FABP4CCNA2CDK2
SCHEMBL1807925 0.81 MPL (0.51) TTRCTRB1FABP4CCNA2CDK2
SCHEMBL1803576 0.81 TTR (0.46) TTRCTRB1FABP4CCNA2CDK2
SCHEMBL29625232 0.81 ALDH1A1 (0.54) TTRCTRB1FABP4CCNA2CDK2

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 5 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
EP-0012411-B1 ANTHRAQUINONE REACTIVE DYESTUFFS AND THEIR USE IN DYEING MATERIALS THAT CONTAIN HYDROXYL OR AMIDE GROUPS BAYER AG (DE) 1983-05-18 EP disclosed
US-4377688-A Anthraquinone reactive dyestuffs, their preparation and their use for dyeing materials containing OH groups or amide groups BAYER AKTIENGESELLSCHAFT (DE) 1983-03-22 US disclosed
EP-0012411-A1 Anthraquinone reactive dyestuffs and their use in dyeing materials that contain hydroxyl or amide groups BAYER AG (DE) 1980-06-25 EP 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 TTR 594/4885CTRB1 2445/4885FABP4 4636/4885

“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.