Sugi Predict

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SCHEMBL4426937

SCHEMBL4426937

Cc1ccccc1C(=O)c1cnc(NC(C2CCNCC2)S(=O)(=O)c2ccc(OC(F)(F)F)cc2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HDAC9 Q9UKV0 1/20 0.35
▸ HDAC5 Q9UQL6 1/20 0.35
▸ MAPK13 O15264 1/20 0.35
▸ MAPK12 P53778 1/20 0.35
▸ MAPK11 Q15759 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ ADAM17 P78536 1/20 0.34
▸ CCR9 P51686 1/20 0.34
▸ EPHX1 P07099 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ SMN1; SMN2 Q16637 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
SCHEMBL4426968 0.91 MAPK13 (0.44) MAPK13MAPK12MAPK11MAPK14ADAM17
SCHEMBL4423515 0.89 MAPK13 (0.41) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL4437064 0.87 MAPK14 (0.42) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL4427053 0.85 MAPT (0.41) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL4428899 0.84 MAPK13 (0.41) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL4427490 0.84 CCR8 (0.39) MAPK13MAPK12MAPK11MAPK14
SCHEMBL4430314 0.83 MAPK13 (0.37) MAPK13MAPK12MAPK11MAPK14
SCHEMBL4437429 0.83 CCR8 (0.35) MAPK13MAPK12MAPK11MAPK14
SCHEMBL4426961 0.82 MAPK13 (0.39) MAPK13MAPK12MAPK11MAPK14
SCHEMBL4429774 0.81 CCR8 (0.35) MAPK13MAPK12MAPK11MAPK14MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656374-B1 THIAZOLE DERIVATIVES AS NPY ANTAGONISTS HOFFMANN LA ROCHE (CH) 2009-03-11 — — EP claimed
US-7265109-B2 Thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2007-09-04 — — US claimed
EP-1656374-A1 THIAZOLE DERIVATIVES AS NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-17 — — EP claimed
US-20050038073-A1 Thiazole derivatives HOFFMAN-LA ROCHE INC. 2005-02-17 — — US claimed
WO-2005014593-A1 THIAZOLE DERIVATIVES AS NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-17 — — WO claimed
EP-1656374-B1 THIAZOLE DERIVATIVES AS NPY ANTAGONISTS HOFFMANN LA ROCHE (CH) 2009-03-11 — — EP disclosed
US-7265109-B2 Thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2007-09-04 — — US disclosed
EP-1656374-A1 THIAZOLE DERIVATIVES AS NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-17 — — EP disclosed
US-20050038073-A1 Thiazole derivatives HOFFMAN-LA ROCHE INC. 2005-02-17 — — US disclosed
WO-2005014593-A1 THIAZOLE DERIVATIVES AS NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-17 — — 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-20050038073-A1 Thiazole derivatives NPY4R, NPY1R, NPY2R HDAC3 348/4885HDAC4 486/4885HDAC1 738/4885

“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.