SCHEMBL3727028

SCHEMBL3727028

NC(=S)NNC(=O)COc1cccc(C(F)(F)F)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
ATM Q13315 1/20 0.56
MRGPRX4 Q96LA9 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.44
NOTUM Q6P988 1/20 0.42
CTSS P25774 2/20 0.41
CTSK P43235 2/20 0.41
ALDH1A1 P00352 3/20 0.41
FAAH O00519 2/20 0.40
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
CYP1A2 P05177 1/20 0.40
KMT2A Q03164 3/20 0.39
ELANE P08246 1/20 0.39
LMNA P02545 1/20 0.39
ANO1 Q5XXA6 1/20 0.39
MEN1 O00255 1/20 0.38
ALOX12 P18054 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL3728389 0.87 GAA (0.66) GAAATMMRGPRX4L3MBTL1NOTUM
SCHEMBL27955137 0.79 NOTUM (0.60) MRGPRX4L3MBTL1NOTUMALDH1A1KMT2A
SCHEMBL3728806 0.78 MRGPRX4 (0.60) MRGPRX4L3MBTL1ALDH1A1KMT2A
SCHEMBL3733772 0.77 GAA (0.71) GAAATMNOTUMALDH1A1CYP1A2
SCHEMBL3738177 0.74 GAA (0.71) GAAATML3MBTL1NOTUMCTSS
SCHEMBL3737663 0.73 ALDH1A1 (0.60) GAAATML3MBTL1ALDH1A1KMT2A
SCHEMBL3734752 0.73 GAA (0.57) GAAATML3MBTL1ALDH1A1CYP1A2
SCHEMBL3731079 0.73 GAA (0.56) GAAATML3MBTL1ALDH1A1KMT2A
SCHEMBL3727333 0.73 GAA (0.73) GAAATMALDH1A1CYP1A2KMT2A
SCHEMBL3729668 0.72 OGG1 (0.69) GAAATMALDH1A1CYP1A2KMT2A

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 1 patent. 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

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 3093/4885MRGPRX4 4607/4885

“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.