SCHEMBL2661733

SCHEMBL2661733

NC(=S)Nc1n[nH]c2cccc(C(F)(F)F)c12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAPT P10636 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ AXL P30530 1/20 0.38
▸ KDR P35968 5/20 0.37
▸ MAPK1 P28482 1/20 0.35
▸ GRM4 Q14833 3/20 0.35
▸ KIT P10721 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ EPHB4 P54760 1/20 0.34
▸ TEK Q02763 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ KIF11 P52732 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ CTNNB1 P35222 1/20 0.34
▸ WNT3A P56704 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ BCR P11274 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
SCHEMBL5583098 0.78 KIF11 (0.38) SMN1; SMN2MAPTPOLBAXLMAPK1
SCHEMBL13312178 0.77 AXL (0.41) AXLGRM4KIF11CTNNB1WNT3A
Hydrochloric Acid SCHEMBL3501027 0.75 AXL (0.41) AXLGRM4KIF11CTNNB1WNT3A
SCHEMBL13122322 0.72 AXL (0.46) AXLKDRMAPK1KIF11CTNNB1
SCHEMBL2660889 0.72 GAA (0.56) AXLKDRKITFLT3L3MBTL1
SCHEMBL5929451 0.71 KDM4E (0.48) SMN1; SMN2MAPTPOLBTDP1MAPK1
SCHEMBL14380112 0.70 SMN1; SMN2 (0.54) SMN1; SMN2MAPTPOLBTDP1GRM4
SCHEMBL2661765 0.69 FADS1 (0.52) MAPK1KIF11
SCHEMBL13347996 0.69 AXL (0.35) AXLGRM4CTNNB1WNT3AABL1
SCHEMBL25475400 0.69 AXL (0.46) AXLKDRGRM4KIF11CTNNB1

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-1966152-A2 GLUCOKINASE ACTIVATORS Takeda Pharmaceutical Company Limited (JP) 2008-09-10 — — EP disclosed
US-20070244169-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-10-18 — — US disclosed
US-20070244169-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-10-18 — — US disclosed
US-20070244169-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-10-18 — — US disclosed
WO-2007075847-A2 GLUCOKINASE ACTIVATORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-05 — — 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-20070244169-A1 GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 SMN1; SMN2 4119/4885MAPT 3294/4885POLB 2179/4885

“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.

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