SCHEMBL905123

SCHEMBL905123

C=C(C)C(=O)NCCCCC(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
EPHX1 P07099 2/20 0.32
TGFBR1 P36897 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32
DPP7 Q9UHL4 1/20 0.30
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
CA3 P07451 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 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
SCHEMBL905122 0.95 TGFBR1 (0.33) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL905070 0.89 TGFBR1 (0.34) TGFBR1
SCHEMBL905121 0.80 TGFBR1 (0.36) POLBTGFBR1
SCHEMBL15132327 0.78 ZDHHC20 (0.46) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL15132222 0.77 GAA (0.40) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL15132321 0.76 TGFBR1 (0.36) TGFBR1KDM4EMAPK1HIF1ADPP7
SCHEMBL14413831 0.76 KDM4E (0.39) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL15132214 0.75 EPHX1 (0.41) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL30956649 0.75 ALDH1A1 (0.33) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL5052494 0.75 DPP7 (0.37) ALDH1A1EPHX1TGFBR1KDM4EMAPK1

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 6 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
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
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 ALDH1A1 1200/4885POLB 1210/4885SMN1; SMN2 2160/4885

“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.