SCHEMBL10000890

SCHEMBL10000890

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

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
THRB P10828 1/20 0.33
ALDH1A1 P00352 2/20 0.31
USP2 O75604 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL905126 0.86 TSHR (0.52) TSHRTHRBALDH1A1
SCHEMBL15292857 0.82 TSHR (0.47) TSHRTHRBALDH1A1
SCHEMBL15132279 0.81 TSHR (0.50) TSHRTHRBALDH1A1USP2CYP3A4
SCHEMBL10000903 0.78 TSHR (0.42) TSHRALDH1A1USP2CYP3A4MAPT
SCHEMBL14129207 0.77 THRB (0.42) TSHRTHRBALDH1A1
SCHEMBL12744988 0.76 TSHR (0.36) TSHRALDH1A1
SCHEMBL94906 0.75 TSHR (0.68) TSHRTHRBALDH1A1USP2CYP3A4
SCHEMBL905153 0.75 TSHR (0.46) TSHRTHRBALDH1A1
SCHEMBL15132283 0.75 TSHR (0.32) TSHR
SCHEMBL247172 0.74 TSHR (0.53) TSHRTHRBALDH1A1

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 3910/4885THRB 4677/4885ALDH1A1 1200/4885

“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.