SCHEMBL19746730

SCHEMBL19746730

N[C@H](CCCCNC(=O)c1ccc(S(=O)(=O)F)cc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.50
CA1 P00915 3/20 0.50
MAPK14 Q16539 2/20 0.48
FOLH1 Q04609 2/20 0.45
EPHX2 P34913 2/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 1/20 0.44
KMT2A Q03164 1/20 0.44
ADORA2A P29274 2/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
TERT O14746 1/20 0.43

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
SCHEMBL23244679 0.96 CA2 (0.51) CA2CA1MAPK14FOLH1EPHX2
SCHEMBL23244681 0.96 CA2 (0.51) CA2CA1MAPK14FOLH1EPHX2
SCHEMBL23244680 0.96 CA2 (0.51) CA2CA1MAPK14FOLH1EPHX2
SCHEMBL28502970 0.88 CA2 (0.65) CA2CA1KDM4EKMT2ACA12
SCHEMBL25280861 0.84 NPC1 (0.48) CA2CA1MAPK14FOLH1MAPK1
SCHEMBL25280862 0.84 NPC1 (0.48) CA2CA1MAPK14FOLH1MAPK1
SCHEMBL2236683 0.83 EPHX2 (0.57) CA2CA1EPHX2KDM4EKMT2A
SCHEMBL2236675 0.83 EPHX2 (0.57) CA2CA1EPHX2KDM4EKMT2A
SCHEMBL19746273 0.82 CASR (0.48) CA2CA1
SCHEMBL19746272 0.82 CASR (0.48) CA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190241615-A1 CYCLIC PEPTIDE INHIBITORS OF HEDGEHOG PROTEINS UNIVERSITY OF ROCHESTER 2019-08-08 US disclosed
EP-3475294-A1 CYCLIC PEPTIDE INHIBITORS OF HEDGEHOG PROTEINS The University of Rochester (US) 2019-05-01 EP disclosed
WO-2017223207-A1 CYCLIC PEPTIDE INHIBITORS OF HEDGEHOG PROTEINS UNIVERSITY OF ROCHESTER (US) 2017-12-28 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-20190241615-A1 CYCLIC PEPTIDE INHIBITORS OF HEDGEHOG PROTEINS SHH, SMO, DACH1 CA2 2173/4885CA1 996/4885MAPK14 870/4885

“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.