SCHEMBL22369869

SCHEMBL22369869

O=C(CO)NC12CC(c3ccc(C(F)(F)F)cc3)(C1)C2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ MMP1 P03956 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ APP P05067 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ P2RY14 Q15391 1/20 0.36
▸ CES2 O00748 1/20 0.36
▸ CES1 P23141 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 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
SCHEMBL29525490 0.76 RORC (0.41) ATF4P2RY14LMNAHTT
SCHEMBL22369876 0.76 CDK1 (0.41) THRBEPHX2APPSLC6A4SLC6A3
SCHEMBL23141350 0.75 KDM4E (0.51) THRBCES2CES1
SCHEMBL22369873 0.72 SLC6A3 (0.42) SLC6A4SLC6A3LMNAHTT
SCHEMBL29525428 0.71 APP (0.44) THRBEPHX2APPCYP3A4KCNH2
SCHEMBL23383767 0.69 ATF4 (0.40) ATF4EPHX2HDAC1HDAC8
SCHEMBL20565421 0.69 ATF4 (0.30) ATF4
SCHEMBL2094723 0.67 EPHX2 (0.66) EPHX2ALDH1A1LMNAHTT
SCHEMBL4446502 0.67 THRB (0.50) THRBEPHX2APPCES2CES1
SCHEMBL22369880 0.67 MAOA (0.50) ALDH1A1SLC6A4SLC6A3

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-20200270221-A1 ANALGESIC COMPOUNDS KTHERA, LLC 2020-08-27 — — 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-20200270221-A1 ANALGESIC COMPOUNDS INA, IK, ACHE ATF4 2947/4885THRB 3725/4885MMP1 765/4885

“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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