Sugi Predict

Sugi Predict / Compounds / SCHEMBL3355645

SCHEMBL3355645

SCHEMBL3355645

CCOc1cc2c(cc1Cl)N(S(C)(=O)=O)CC(C(=O)N1CCC(C#N)(Cc3ccc(F)cc3)CC1)O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.40
▸ KMT2A Q03164 3/20 0.38
▸ ALDH1A1 P00352 7/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ SSTR5 P35346 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CYP2C9 P11712 4/20 0.34
▸ CYP1A2 P05177 3/20 0.34
▸ CYP3A4 P08684 3/20 0.34
▸ CYP2C19 P33261 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ FPR2 P25090 1/20 0.34
▸ PROKR1 Q8TCW9 1/20 0.34
▸ GAA P10253 2/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ CPT1A P50416 1/20 0.33
▸ CPT1B Q92523 1/20 0.33
▸ LMNA P02545 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
SCHEMBL13330955 0.94 ALDH1A1 (0.35) POLBKMT2AALDH1A1L3MBTL1SSTR5
SCHEMBL3351389 0.93 POLB (0.38) POLBKMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL3359004 0.88 POLB (0.38) POLBKMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL3354045 0.86 ALDH1A1 (0.34) KMT2AALDH1A1L3MBTL1SSTR5CYP2C9
SCHEMBL3358591 0.86 ALDH1A1 (0.33) KMT2AALDH1A1L3MBTL1SSTR5CYP2C9
SCHEMBL3358660 0.85 MC4R (0.35) KMT2AALDH1A1SSTR5CYP2C9CYP1A2
SCHEMBL3358681 0.83 LMNA (0.35) KMT2AALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL3356066 0.82 ALDH1A1 (0.35) POLBKMT2AALDH1A1L3MBTL1SSTR5
SCHEMBL3353011 0.81 LMNA (0.34) ALDH1A1L3MBTL1KDM4ESMN1; SMN2FPR2
SCHEMBL3386987 0.81 ALDH1A1 (0.34) ALDH1A1FPR2PROKR1

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 5 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
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

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 3780/4885KMT2A 3495/4885ALDH1A1 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.