Sugi Predict

Sugi Predict / Compounds / SCHEMBL3733772

SCHEMBL3733772

SCHEMBL3733772

NC(=S)NNC(=O)COc1ccccc1Cl

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.71
▸ ATM Q13315 1/20 0.71
▸ ADAMTS5 Q9UNA0 1/20 0.58
▸ RAB9A P51151 4/20 0.57
▸ HTT P42858 1/20 0.57
▸ HPGD P15428 2/20 0.55
▸ TSHR P16473 1/20 0.55
▸ SENP2 Q9HC62 1/20 0.55
▸ SENP1 Q9P0U3 1/20 0.55
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ POLB P06746 2/20 0.53
▸ MAPT P10636 2/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ NPC1 O15118 3/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ TP53 P04637 1/20 0.52

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
SCHEMBL3731079 0.83 GAA (0.56) GAAATMADAMTS5RAB9AHTT
SCHEMBL3727333 0.83 GAA (0.73) GAAATMRAB9AHTTHPGD
SCHEMBL3737663 0.83 ALDH1A1 (0.60) GAAATMADAMTS5RAB9AHTT
SCHEMBL3734752 0.83 GAA (0.57) GAAATMADAMTS5RAB9AHTT
SCHEMBL3725036 0.82 ALDH1A1 (0.64) GAAATMADAMTS5RAB9AHTT
SCHEMBL3737643 0.82 GAA (0.56) GAAATMADAMTS5HTTHPGD
SCHEMBL3738177 0.82 GAA (0.71) GAAATMRAB9AHTTHPGD
SCHEMBL4936220 0.81 RAB9A (0.63) RAB9AHPGDTSHRSENP2SENP1
SCHEMBL3729668 0.79 OGG1 (0.69) GAAATMADAMTS5HPGDTSHR
SCHEMBL3725265 0.79 ATM (0.68) GAAATMRAB9AHTTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE BOUILLOT ANNE MARIE JEANNE 2010-05-13 — — US disclosed
US-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE BOUILLOT ANNE MARIE JEANNE 2010-05-13 — — US disclosed
US-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE BOUILLOT ANNE MARIE JEANNE 2010-05-13 — — US disclosed
EP-2125799-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE Smithkline Beecham Corporation (US) 2009-12-02 — — EP disclosed
WO-2009056556-A1 SUBSTITUTE 1, 6-NAPHTHYRIDINES FOR USE AS SCD INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-05-07 — — WO disclosed
WO-2009056556-A1 SUBSTITUTE 1, 6-NAPHTHYRIDINES FOR USE AS SCD INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-05-07 — — WO disclosed
WO-2008104524-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE SMITHKLINE BEECHAM CORPORATION (US) 2008-09-04 — — WO disclosed
WO-2008104524-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE SMITHKLINE BEECHAM CORPORATION (US) 2008-09-04 — — 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-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 GAA 735/4885ATM 3093/4885ADAMTS5 1151/4885

“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.