SCHEMBL21768178

SCHEMBL21768178

CC1(C)CNC(=O)c2ccc(C(O)C(=CF)CNC(=O)O)cc21

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP26A1 O43174 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ RARB P10826 1/20 0.33
▸ RARG P13631 1/20 0.33
▸ HPGD P15428 1/20 0.30
▸ GFER P55789 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL28901231 0.82 HPGD (0.30) HPGDGFERHSD17B10
SCHEMBL21768337 0.78 PARP10 (0.42) —
SCHEMBL21768121 0.78 PARP10 (0.42) —
SCHEMBL21768179 0.75 AOC3 (0.39) —
SCHEMBL27445473 0.72 HPGD (0.52) HPGDGFERHSD17B10
SCHEMBL28979238 0.69 KCNH2 (0.42) —
SCHEMBL28978954 0.69 OTUD7B (0.36) —
SCHEMBL28513382 0.68 PARP1 (0.38) HPGDHSD17B10
SCHEMBL28658786 0.67 PARP11 (0.37) —
SCHEMBL28499172 0.67 PARP11 (0.37) —

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 CYP26A1 764/4885CYP3A4 1050/4885RARB 3807/4885

“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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