SCHEMBL19557124

SCHEMBL19557124

CCOC(=O)[C@@H]1C[C@@H]1C(F)F

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.37
CA2 P00918 6/20 0.37
CA12 O43570 5/20 0.37
CA9 Q16790 5/20 0.37
CAPN9 O14815 1/20 0.37
PPM1B O75688 1/20 0.35
PTPN1 P18031 1/20 0.35
PPP1CC P36873 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL22869275 1.00 CA1 (0.37) CA1CA2CA12CA9CAPN9
SCHEMBL22869276 1.00 CA1 (0.37) CA1CA2CA12CA9CAPN9
SCHEMBL19557134 1.00 CA1 (0.37) CA1CA2CA12CA9CAPN9
SCHEMBL28976506 1.00 CA1 (0.37) CA1CA2CA12CA9CAPN9
SCHEMBL19557123 1.00 CA1 (0.37) CA1CA2CA12CA9CAPN9
SCHEMBL22869421 0.82 TRPM8 (0.45) CA1CA2CA12CA9CAPN9
SCHEMBL19321648 0.82 TRPM8 (0.45) CA1CA2CA12CA9CAPN9
SCHEMBL13748535 0.82 TRPM8 (0.45) CA1CA2CA12CA9CAPN9
SCHEMBL19321646 0.82 TRPM8 (0.45) CA1CA2CA12CA9CAPN9
SCHEMBL1030989 0.82 CA1 (0.38) CA1CA2CA12CA9CAPN9

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-20180194721-A1 DIFLUOROALKYLCYCLOPROPYL AMINO ACIDS AND ESTERS, AND SYNTHESES THEREOF ABBVIE INC. 2018-07-12 US disclosed
US-20180057482-A1 SYNTHETIC ROUTE TO ANTI-VIRAL AGENTS ABBVIE INC. 2018-03-01 US disclosed
US-9809576-B1 Synthetic route to anti-viral agents ABBVIE INC. (US) 2017-11-07 US disclosed
US-9809534-B1 Difluoroalkylcyclopropyl amino acids and esters, and syntheses thereof ABBVIE INC. (US) 2017-11-07 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-20180194721-A1 DIFLUOROALKYLCYCLOPROPYL AMINO ACIDS AND ESTERS, AND SYNTHESES THEREOF DNPEP, PEPD, ANPEP CA1 687/4885CA2 1757/4885CA12 1614/4885
US-20180057482-A1 SYNTHETIC ROUTE TO ANTI-VIRAL AGENTS ACE, ACE2, PREP CA1 1971/4885CA2 2697/4885CA12 1973/4885

“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.