SCHEMBL905081

SCHEMBL905081

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TGM2 P21980 13/20 0.37
GAA P10253 1/20 0.36
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
UBE2M P61081 1/20 0.31
DCUN1D1 Q96GG9 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 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
SCHEMBL15132327 0.95 ZDHHC20 (0.46) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL14129244 0.90 ALDH1A1 (0.39) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL1079870 0.80 ZDHHC20 (0.53) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL905076 0.80 TSHR (0.42) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL15132326 0.79 ZDHHC20 (0.51) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL905122 0.77 TGFBR1 (0.33) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL30956648 0.76 ZDHHC20 (0.47) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL10000909 0.74 ALDH1A1 (0.36) ALDH1A1TSHRMAPK1TDP1TGM2
SCHEMBL905123 0.73 ALDH1A1 (0.33) ALDH1A1MAPK1POLBSMN1; SMN2MEN1
SCHEMBL905100 0.73 MEN1 (0.42) ALDH1A1TSHRMEN1KMT2A

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 ZDHHC20 2071/4885ZDHHC2 1747/4885ALDH1A1 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.