SCHEMBL13020409

SCHEMBL13020409

CCS(=O)(=O)NC(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.42
CA2 P00918 3/20 0.42
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CA3 P07451 2/20 0.35
CA5A P35218 2/20 0.35
CA5B Q9Y2D0 2/20 0.35
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
FAAH O00519 9/20 0.34
CES1 P23141 5/20 0.34
CES2 O00748 3/20 0.34
CA1 P00915 1/20 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
SCHEMBL14616640 0.84 EPHX1 (0.42) EPHX1CA2ALDH1A1POLBSMN1; SMN2
SCHEMBL17577418 0.81 CA1 (0.35) EPHX1CA2CA1
SCHEMBL6308658 0.80 ALDH1A1 (0.35) CA2ALDH1A1CA12CA9CA4
SCHEMBL4209727 0.80 CA2 (0.42) EPHX1CA2ALDH1A1POLBSMN1; SMN2
SCHEMBL1618683 0.77 CA2 (0.43) EPHX1CA2ALDH1A1POLBSMN1; SMN2
Trifluoroacetic Acid SCHEMBL29021584 0.76 ALDH1A1 (0.36) EPHX1CA2ALDH1A1POLBSMN1; SMN2
SCHEMBL27029988 0.76 EPHX1 (0.36) EPHX1CA2ALDH1A1POLBSMN1; SMN2
SCHEMBL25768388 0.76 CA2 (0.48) EPHX1CA2ALDH1A1POLBSMN1; SMN2
SCHEMBL14953640 0.75 CA2 (0.42) EPHX1CA2ALDH1A1POLBSMN1; SMN2
SCHEMBL17266491 0.75 CA2 (0.42) EPHX1CA2ALDH1A1POLBSMN1; SMN2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159569-A1 DUAL HDAC6/PROTEASOME INHIBITORS, AND METHODS OF USE THEREOF UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-05-25 US disclosed
CN-104342050-B Bonding sheet and optical component 日东电工株式会社 2019-06-07 CN disclosed
US-10290900-B2 Non-aqueous electrolytic solution and lithium ion secondary battery comprising same NIPPON SHOKUBAI CO., LTD. (JP) 2019-05-14 US disclosed
CN-105368350-B Water-dispersed acrylic class adhesive composition, adhesive phase and bonding sheet 日东电工株式会社 2017-09-05 CN disclosed
CN-103930508-B Water-dispersible type acrylic pressure-sensitive adhesive compositions and bonding sheet are peeled off again 日东电工株式会社 2017-08-08 CN disclosed
CN-103890123-B Water-dispersible type acrylic pressure-sensitive adhesive compositions and bonding sheet are peeled off again 日东电工株式会社 2017-06-20 CN disclosed
US-20170117582-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION AND LITHIUM ION SECONDARY BATTERY COMPRISING SAME NIPPON SHOKUBAI CO., LTD. (JP) 2017-04-27 US disclosed
US-20170117582-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION AND LITHIUM ION SECONDARY BATTERY COMPRISING SAME NIPPON SHOKUBAI CO., LTD. (JP) 2017-04-27 US disclosed
CN-103958633-B Water-dispersible acrylic pressure-sensitive adhesive composition, pressure-sensitive adhesive layer, and pressure-sensitive adhesive sheet 日东电工株式会社 2017-02-15 CN disclosed
US-20100331397-A1 2-5A ANALOGS AND THEIR METHODS OF USE ALIOS BIOPHARMA, INC. (US) 2010-12-30 US 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 (2 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-20230159569-A1 DUAL HDAC6/PROTEASOME INHIBITORS, AND METHODS OF USE THEREOF HDAC6, PSMG3, PSMB2 EPHX1 3929/4885CA2 3553/4885ALDH1A1 2269/4885
US-20100331397-A1 2-5A ANALOGS AND THEIR METHODS OF USE RNASEL, RNASE1, RNASEH1 EPHX1 1408/4885CA2 4339/4885ALDH1A1 1405/4885

“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.