SCHEMBL17756027

SCHEMBL17756027

CON(C)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.41
▸ PDE4B Q07343 3/20 0.41
▸ TACR1 P25103 1/20 0.39
▸ DDB1 Q16531 1/20 0.38
▸ CRBN Q96SW2 1/20 0.38
▸ USP2 O75604 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ USP30 Q70CQ3 3/20 0.36
▸ RORC P51449 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34

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
SCHEMBL15684093 0.89 NR1H2 (0.41) NR1H2PDE4BTACR1DDB1CRBN
SCHEMBL20360129 0.87 NR1H2 (0.42) NR1H2PDE4BTACR1DDB1CRBN
SCHEMBL20358500 0.87 NR1H2 (0.42) NR1H2PDE4BTACR1DDB1CRBN
SCHEMBL20358501 0.87 NR1H2 (0.42) NR1H2PDE4BTACR1DDB1CRBN
SCHEMBL1051376 0.84 NR1H2 (0.53) NR1H2PDE4BDDB1CRBNUSP2
SCHEMBL6065186 0.84 NR1H2 (0.53) NR1H2PDE4BDDB1CRBNUSP2
SCHEMBL1052921 0.84 NR1H2 (0.53) NR1H2PDE4BDDB1CRBNUSP2
SCHEMBL408327 0.83 NR1H2 (0.40) NR1H2PDE4BTACR1DDB1CRBN
SCHEMBL15684240 0.83 NR1H2 (0.40) NR1H2PDE4BTACR1DDB1CRBN
SCHEMBL278133 0.82 NR1H2 (0.45) NR1H2PDE4BDDB1CRBNUSP2

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-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2016-05-19 — — US disclosed
US-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2016-05-19 — — 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-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF CYP3A7, CYP2C19, CYP3A5 NR1H2 2073/4885PDE4B 646/4885TACR1 1980/4885

“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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