SCHEMBL905085

SCHEMBL905085

C=CC(=O)OCC(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.48
ALDH1A1 P00352 4/20 0.39
TP53 P04637 3/20 0.39
HIF1A Q16665 3/20 0.39
CYP3A4 P08684 2/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.38
HPGD P15428 1/20 0.35
THRB P10828 2/20 0.33

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
SCHEMBL10000903 0.85 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL905094 0.83 TSHR (0.44) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL905148 0.80 TSHR (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL15132275 0.79 TSHR (0.53) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL2985106 0.76 MGAM (0.33)
SCHEMBL15132278 0.76 TSHR (0.59) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL8861439 0.76 TSHR (0.53) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL905126 0.74 TSHR (0.52) TSHRALDH1A1THRB
SCHEMBL29278378 0.74 TSHR (0.47) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL15132294 0.73 TSHR (0.33) TSHR

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-9204652-B2 Antibacterial agent, substrate surface treatment method using the same, antibacterial agent composition, and substrate surface treatment method using the same CENTRAL GLASS COMPANY, LIMITED (JP) 2015-12-08 US disclosed
EP-2622960-A1 ANTIBACTERIAL AGENT, SUBSTRATE SURFACE TREATMENT METHOD USING THE SAME, ANTIBACTERIAL AGENT COMPOSITION, AND SUBSTRATE SURFACE TREATMENT METHOD USING THE SAME Central Glass Company, Limited (JP) 2013-08-07 EP disclosed
US-20130189220-A1 Antibacterial Agent, Substrate Surface Treatment Method Using The Same, Antibacterial Agent Composition, And Substrate Surface Treatment Method Using The Same CENTRAL GLASS COMPANY, LIMITED (JP) 2013-07-25 US disclosed
WO-2012043619-A1 ANTIBACTERIAL AGENT, SUBSTRATE SURFACE TREATMENT METHOD USING THE SAME, ANTIBACTERIAL AGENT COMPOSITION, AND SUBSTRATE SURFACE TREATMENT METHOD USING THE SAME セントラル硝子株式会社 (JP) 2012-04-05 WO 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-20130189220-A1 Antibacterial Agent, Substrate Surface Treatment Method Using The Same, Antibacterial Agent Composition, And Substrate Surface Treatment Method Using The Same SEM1, CD81, VMA21 TSHR 3910/4885ALDH1A1 1200/4885TP53 3951/4885

“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.