Sugi Predict

Sugi Predict / Compounds / SCHEMBL2859562

SCHEMBL2859562

SCHEMBL2859562

O=C(Oc1ccc(OC(F)(F)CC(F)(F)F)cc1)N(Cc1ccncc1)c1ccc2nc(S)sc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ WNT3A P56704 3/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ LMNA P02545 3/20 0.33
▸ TP53 P04637 2/20 0.33
▸ CSNK1D P48730 3/20 0.33
▸ POLB P06746 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HDAC9 Q9UKV0 1/20 0.33
▸ HDAC5 Q9UQL6 1/20 0.33
▸ CACNA1H O95180 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
SCHEMBL2860683 0.89 MAPT (0.44) MAPTWNT3ALMNATP53CSNK1D
SCHEMBL2860184 0.88 MAPT (0.39) MAPTDYRK1AWNT3ACYP3A4CSNK1D
SCHEMBL2865990 0.87 MAPT (0.38) MAPTWNT3ACYP3A4LMNATP53
SCHEMBL2866776 0.85 CA2 (0.40) MAPTWNT3ALMNATP53CSNK1D
SCHEMBL2861474 0.84 DYRK1A (0.35) MAPTDYRK1ALMNATP53CSNK1D
SCHEMBL2865978 0.83 TMPRSS15 (0.36) DYRK1ALMNAPOLBHDAC3HDAC4
SCHEMBL2867433 0.82 SCN9A (0.41) MAPTWNT3ACYP3A4LMNACACNA1H
SCHEMBL2868498 0.82 CA2 (0.43) CA2
SCHEMBL2863708 0.82 KMT2A (0.37) MAPTWNT3ACYP3A4LMNATP53
SCHEMBL2863725 0.81 DYRK1A (0.36) MAPTDYRK1ACSNK1DHDAC3HDAC4

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
EP-1370260-B1 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2010-11-24 — — EP claimed
US-7709510-B2 Azoles as malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-05-04 — — US claimed
US-20040092503-A1 Azoles as malonyl-coa decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-05-13 — — US claimed
EP-1370260-A2 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-12-17 — — EP claimed
WO-2002066035-A2 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-29 — — WO claimed

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-20040092503-A1 Azoles as malonyl-coa decarboxylase inhibitors useful as metabolic modulators ME1, ME3, ME2 MAPT 3030/4885DYRK1A 1717/4885WNT3A 4665/4885

“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.