SCHEMBL23633240

SCHEMBL23633240

CCCC[C@H](N)[C@@H](O)C(F)(F)C(=O)NCC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 7/20 0.36
EPHX1 P07099 1/20 0.35
SLC15A1 P46059 1/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
DPP8 Q6V1X1 4/20 0.31
DPP4 P27487 4/20 0.31
DPP9 Q86TI2 4/20 0.31
RRM1 P23921 1/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
METAP1 P53582 1/20 0.31

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
SCHEMBL18228737 0.75 CTSS (0.31) CTSSCTSK
SCHEMBL18228920 0.75 CTSS (0.31) CTSSCTSK
SCHEMBL19899405 0.75 CTSS (0.31) CTSSCTSK
SCHEMBL12290407 0.75 FAAH (0.36) SLC1A3SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL20591703 0.74 CTSS (0.31) CTSSCTSK
Hydrochloric Acid SCHEMBL20591746 0.74 CTSS (0.31) CTSSCTSK
Hydrochloric Acid SCHEMBL20591745 0.74 CTSS (0.31) CTSSCTSK
Hydrochloric Acid SCHEMBL20591705 0.74 CTSS (0.31) CTSSCTSK
Hydrochloric Acid SCHEMBL18228637 0.74 CTSS (0.31) CTSSCTSK
SCHEMBL18923209 0.71 CYP2D6 (0.39) DPP7SLC15A1CA1CA2CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11059858-B2 Difluoroketamide derivatives as HtrA1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2021-07-13 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 (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-11059858-B2 Difluoroketamide derivatives as HtrA1 inhibitors HTRA1, HTR1A, HTR1E DPP7 573/4885EPHX1 502/4885SLC15A1 1051/4885

“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.