SCHEMBL5031748

SCHEMBL5031748

O=S(=O)(O)c1cccc2c(O)[c]ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.53
CYP1A2 P05177 3/20 0.45
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
CDK2 P24941 1/20 0.42
MEN1 O00255 1/20 0.40
NSD2 O96028 1/20 0.40
POLB P06746 1/20 0.40
IDE P14735 1/20 0.40
DUSP3 P51452 1/20 0.40
CCR6 P51684 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
COMT P21964 1/20 0.39
SNCA P37840 2/20 0.38
CHAT P28329 1/20 0.38
CTRB1 P17538 1/20 0.38
ALPL P05186 1/20 0.38
ALPI P09923 1/20 0.38
ALPG P10696 1/20 0.38

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
Sulfuric Acid SCHEMBL4071142 0.82 TTR (0.72) TTRCYP1A2AURKAAURKBCDK2
SCHEMBL1376915 0.82 TTR (0.53) TTRCYP1A2AURKAAURKBCDK2
SCHEMBL11347041 0.81 TTR (0.61) TTRCYP1A2AURKAAURKBCDK2
SCHEMBL29363198 0.80 TTR (0.75) TTRCYP1A2AURKAAURKBCDK2
SCHEMBL6242 0.80 TTR (0.75) TTRCYP1A2AURKAAURKBCDK2
SCHEMBL30233642 0.80 TTR (0.75) TTRCYP1A2AURKAAURKBCDK2
Ammonia Solution, Strong SCHEMBL25312340 0.78 TTR (0.72) TTRCYP1A2AURKAAURKBCDK2
Hydrochloric Acid SCHEMBL7455908 0.78 TTR (0.72) TTRCYP1A2AURKAAURKBCDK2
SCHEMBL2290618 0.78 TTR (0.72) TTRCYP1A2AURKAAURKBCDK2
Water SCHEMBL242080 0.78 TTR (0.72) TTRCYP1A2AURKAAURKBCDK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080241394-A1 Dyes and their use in ink-jet printing FUJIFILM IMAGING COLORANTS LIMITED 2008-10-02 US disclosed
US-20040231558-A1 Has a clear hue, high light fastness and high moisture resistance MITSUI CHEMICALS, INC. (JP) 2004-11-25 US disclosed
EP-1441013-A1 WATERCOLOR INK Mitsui Chemicals, Inc. (JP) 2004-07-28 EP disclosed
EP-0382177-A1 Water soluble azo compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1990-08-16 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-20080241394-A1 Dyes and their use in ink-jet printing TYR, IK, RB1 TTR 2242/4885CYP1A2 428/4885AURKA 226/4885

“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.