SCHEMBL21768121

SCHEMBL21768121

O=C(O)NCC(=CF)C(O)c1ccc2c(c1)CCNC2=O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 11/20 0.42
▸ PARP11 Q9NR21 10/20 0.42
▸ GRM5 P41594 4/20 0.38
▸ GSK3B P49841 1/20 0.36
▸ PRKACA P17612 1/20 0.36
▸ PRKACG P22612 1/20 0.36
▸ PRKACB P22694 1/20 0.36
▸ PARP1 P09874 3/20 0.35
▸ PDPK1 O15530 1/20 0.35

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
SCHEMBL21768337 0.92 PARP10 (0.42) PARP10PARP11PARP1PDPK1
SCHEMBL28655211 0.85 PARP11 (0.37) PARP10PARP11GRM5GSK3BPRKACA
SCHEMBL28499172 0.85 PARP11 (0.37) PARP10PARP11GRM5GSK3BPRKACA
SCHEMBL28658786 0.85 PARP11 (0.37) PARP10PARP11GRM5GSK3BPRKACA
SCHEMBL28901241 0.81 PARP11 (0.40) PARP10PARP11GRM5GSK3BPRKACA
SCHEMBL21768178 0.78 CYP26A1 (0.33) —
SCHEMBL28513382 0.78 PARP1 (0.38) PARP10PARP1
SCHEMBL28979238 0.74 KCNH2 (0.42) —
SCHEMBL28978954 0.74 OTUD7B (0.36) —
SCHEMBL23068737 0.74 AOC3 (0.46) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200087248-A1 Fluoroallylamine Derivative And Use Thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-03-19 — — US disclosed
EP-3617186-A1 FLUOROALLYLAMINE DERIVATIVE AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-03-04 — — 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 (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-20200087248-A1 Fluoroallylamine Derivative And Use Thereof VAPB, VAPA, SLC28A1 PARP10 2655/4885PARP11 1653/4885GRM5 3882/4885

“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.

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