Sugi Predict

Sugi Predict / Compounds / SCHEMBL3354423

SCHEMBL3354423

SCHEMBL3354423

COc1cc2c(cc1Cl)N(C(C)=O)CC(C(=O)N1CCC(C#N)(Cc3ccc(F)cc3)CC1)O2

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CCR1 P32246 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ CTSS P25774 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ FPR2 P25090 1/20 0.32
▸ PROKR1 Q8TCW9 1/20 0.32
▸ SHMT2 P34897 1/20 0.32
▸ TP53 P04637 2/20 0.32
▸ CHEK1 O14757 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ WNT3A P56704 1/20 0.32
▸ TNKS2 Q9H2K2 1/20 0.32

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
SCHEMBL3355555 0.93 CCR1 (0.34) LMNAMAPTCCR1ALDH1A1CTSS
SCHEMBL3352365 0.92 CCR1 (0.33) LMNAMAPTCCR1ALDH1A1CTSS
SCHEMBL3358681 0.92 LMNA (0.35) LMNACCR1ALDH1A1CTSSCTSK
SCHEMBL3353851 0.91 MAPK14 (0.33) LMNACCR1ALDH1A1CTSSCTSK
SCHEMBL3353011 0.90 LMNA (0.34) LMNACCR1ALDH1A1CTSSCTSK
SCHEMBL3354707 0.89 ALDH1A1 (0.34) MAPTALDH1A1FPR2PROKR1TP53
SCHEMBL3355392 0.88 MC4R (0.36) LMNAMAPTCCR1ALDH1A1
SCHEMBL3351389 0.88 POLB (0.38) LMNACCR1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL3354658 0.88 ALDH1A1 (0.33) LMNACCR1ALDH1A1CTSSCTSK
SCHEMBL3355350 0.87 SIRT1 (0.34) LMNAMAPTCCR1ALDH1A1CTSS

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
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 claimed
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
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

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 LMNA 3702/4885MAPT 4510/4885CCR1 1/4885

“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.