SCHEMBL891958

SCHEMBL891958

CC(C)CC(O)C(F)(F)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.38
SLC7A5 Q01650 1/20 0.38
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
CACNA2D1 P54289 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CACNB3 P54284 1/20 0.33
CACNA1C Q13936 1/20 0.33
CYP2C19 P33261 1/20 0.33
PGR P06401 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
CACNA2D2 Q9NY47 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 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
SCHEMBL10096775 0.80 CA1 (0.36) RNPEPSLC7A5CTSSCTSKCYP2C19
SCHEMBL8414423 0.79 RNPEP (0.39) RNPEPSLC7A5CTSSCTSKCACNA2D1
SCHEMBL892409 0.77 CTRB1 (0.36) RNPEPSLC7A5CTSSCTSKALDH1A1
SCHEMBL7347552 0.76 TSHR (0.42)
SCHEMBL7347545 0.76 TSHR (0.42)
SCHEMBL7362077 0.75 SLC7A5 (0.42) RNPEPSLC7A5CTSSCTSKCACNA2D1
SCHEMBL7362079 0.75 SLC7A5 (0.42) RNPEPSLC7A5CTSSCTSKCACNA2D1
SCHEMBL892045 0.74 MMP8 (0.41) ALDH1A1MMP8MEN1LMNAKMT2A
SCHEMBL891950 0.73 CHRM1 (0.41) ADRA1ASLC1A3SLC1A2
SCHEMBL12868845 0.72 CETP (0.46) ALDH1A1CYP2C19CA1CA2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220127225-A1 ONIUM SALT, CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-04-28 US disclosed
US-9261783-B2 Fluorinated ester monomer, making method, fluorinated ester polymer, and difluorohydroxycarboxylic acid SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-02-16 US disclosed
US-8697903-B2 Fluorinated ester monomer, making method, fluorinated ester polymer, and difluorohydroxycarboxylic acid SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-04-15 US disclosed
US-20140051024-A1 FLUORINATED ESTER MONOMER, MAKING METHOD, FLUORINATED ESTER POLYMER, AND DIFLUOROHYDROXYCARBOXYLIC ACID SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-02-20 US disclosed
US-20140051024-A1 FLUORINATED ESTER MONOMER, MAKING METHOD, FLUORINATED ESTER POLYMER, AND DIFLUOROHYDROXYCARBOXYLIC ACID SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-02-20 US disclosed
US-20140051024-A1 FLUORINATED ESTER MONOMER, MAKING METHOD, FLUORINATED ESTER POLYMER, AND DIFLUOROHYDROXYCARBOXYLIC ACID SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-02-20 US disclosed
US-20120083580-A1 FLUORINATED ESTER MONOMER, MAKING METHOD, FLUORINATED ESTER POLYMER, AND DIFLUOROHYDROXYCARBOXYLIC ACID SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-04-05 US disclosed
US-20120083580-A1 FLUORINATED ESTER MONOMER, MAKING METHOD, FLUORINATED ESTER POLYMER, AND DIFLUOROHYDROXYCARBOXYLIC ACID SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-04-05 US disclosed
US-20120083580-A1 FLUORINATED ESTER MONOMER, MAKING METHOD, FLUORINATED ESTER POLYMER, AND DIFLUOROHYDROXYCARBOXYLIC ACID SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-04-05 US disclosed
US-6130315-A SUBSTRATES IN WHICH THE SCISSILE AMIDE BOND HAS BEEN REPLACED BY AN ACTIVATED ELECTROPHILIC KETONE MOIETY; ANTIINFLAMMATORY AGENTS; ANTIPROLIFERATIVE/ANTICARCINOGENIC/ANTIARTHRITIC AGENTS; TREATMENT OF AUTOIMMUNE DISEASES MERRELL PHARMACEUTICALS INC. (US) 2000-10-10 US disclosed
US-5849866-A Peptidase inhibitors MERRELL PHARMACEUTICALS INC. (US) 1998-12-15 US disclosed
US-5496927-A INHIBITORS OF HUMAN LEUKOCYTE ELASTASE, CATHEPSIN G, CHYMOTRYPSIN MERRELL PHARMACEUTICALS INC. (US) 1996-03-05 US disclosed
EP-0195212-B1 Novel peptidase inhibitors MERRELL DOW PHARMA (US) 1993-11-24 EP disclosed
EP-0195212-A2 Novel peptidase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1986-09-24 EP 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-20220127225-A1 ONIUM SALT, CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS CACNA1F, SLC6A5, IDUA RNPEP 3614/4885SLC7A5 85/4885CTSS 3102/4885
US-20120083580-A1 FLUORINATED ESTER MONOMER, MAKING METHOD, FLUORINATED ESTER POLYMER, AND DIFLUOROHYDROXYCARBOXYLIC ACID ARF1, FFAR3, RFC3 RNPEP 1381/4885SLC7A5 2297/4885CTSS 536/4885

“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.