SCHEMBL905148

SCHEMBL905148

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

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.50
ALDH1A1 P00352 4/20 0.50
CYP3A4 P08684 2/20 0.50
HPGD P15428 1/20 0.46
TP53 P04637 3/20 0.42
HIF1A Q16665 3/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
THRB P10828 2/20 0.36
ATM Q13315 1/20 0.30

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
SCHEMBL15132275 0.95 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL905094 0.90 TSHR (0.44) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL905085 0.80 TSHR (0.48) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL15132274 0.79 TSHR (0.55) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL13387351 0.76 TSHR (0.55) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL775539 0.75 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL10000903 0.74 TSHR (0.42) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL12793643 0.74 TSHR (0.38) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL17538840 0.73 TSHR (0.68) TSHRALDH1A1CYP3A4HPGDTP53
Trifluoromethanesulfonic Acid SCHEMBL27906071 0.73 TSHR (0.71) TSHRALDH1A1CYP3A4HPGDTP53

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 1200/4885CYP3A4 562/4885

“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.