Sugi Predict

Sugi Predict / Compounds / SCHEMBL3359004

SCHEMBL3359004

SCHEMBL3359004

CN(C)c1cc2c(cc1Cl)N(S(C)(=O)=O)CC(C(=O)N1CCC(C#N)(Cc3ccc(F)cc3)CC1)O2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ALDH1A1 P00352 7/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CYP2C9 P11712 3/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ PROKR1 Q8TCW9 2/20 0.35
▸ FPR2 P25090 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ HSD11B1 P28845 1/20 0.33
▸ GAA P10253 2/20 0.33
▸ RORC P51449 2/20 0.32
▸ CPT1A P50416 1/20 0.31
▸ CPT1B Q92523 1/20 0.31
▸ MEN1 O00255 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
SCHEMBL3351389 0.89 POLB (0.38) POLBL3MBTL1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL3355372 0.89 ALDH1A1 (0.35) L3MBTL1ALDH1A1PROKR1FPR2HSD11B1
SCHEMBL3354707 0.88 ALDH1A1 (0.34) POLBALDH1A1PROKR1FPR2HSD11B1
SCHEMBL3355645 0.88 POLB (0.40) POLBL3MBTL1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL3355934 0.87 ALDH1A1 (0.35) ALDH1A1PROKR1FPR2HSD11B1
SCHEMBL3355341 0.87 ALDH1A1 (0.34) ALDH1A1PROKR1FPR2HSD11B1
SCHEMBL3352265 0.86 ALDH1A1 (0.33) ALDH1A1PROKR1FPR2HSD11B1
SCHEMBL3359075 0.86 ALDH1A1 (0.33) ALDH1A1CYP3A4PROKR1FPR2
SCHEMBL3358333 0.86 ALDH1A1 (0.33) ALDH1A1KDM4EPROKR1FPR2GAA
SCHEMBL3355876 0.85 ALDH1A1 (0.33) ALDH1A1CYP2C9CYP1A2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 — — US claimed
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 — — WO claimed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 — — US disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 — — US disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 — — US disclosed
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 — — WO disclosed
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 — — WO 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-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS CCR1, CCR4, CCR5 POLB 3780/4885L3MBTL1 4318/4885ALDH1A1 903/4885

“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.