SCHEMBL4360107

SCHEMBL4360107

O=C(O)N(C(=O)O)c1ncc(Br)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
CDK5 Q00535 1/20 0.37
SNCA P37840 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MAPK10 P53779 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
DAO P14920 1/20 0.32
FBP1 P09467 4/20 0.32
ALDH1A1 P00352 2/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31
CSNK2A3 Q8NEV1 1/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL11903628 0.81 SMN1; SMN2 (0.36) CCNE1CDK2CDK5SNCASMN1; SMN2
SCHEMBL1428351 0.80 USP30 (0.37) CCNE1CDK2CDK5SNCASMN1; SMN2
SCHEMBL960591 0.76 ATM (0.42) CCNE1CDK2CDK5SMN1; SMN2NPC1
SCHEMBL16653414 0.74 SMN1; SMN2 (0.33) CCNE1CDK2CDK5SNCASMN1; SMN2
SCHEMBL1749460 0.73 KDM4E (0.44) CCNE1CDK2CDK5SNCASMN1; SMN2
SCHEMBL1674175 0.70
SCHEMBL2628933 0.70
SCHEMBL297955 0.69 HCAR2 (0.31) ALDH1A1HCAR2KDM4E
SCHEMBL23451253 0.64 USP30 (0.39) SMN1; SMN2MAPK10NPC1LMNAPKM
SCHEMBL12766570 0.64 MAPK1 (0.43) CCNE1CDK2CDK5SMN1; SMN2MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2032548-A1 THIAZOLE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2009-03-11 EP disclosed
WO-2007137962-A1 THIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-12-06 WO disclosed
US-20070281979-A1 Fructose-1,6-bisphosphatase (FBPase) inhibitors, such as N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]3(difluoromethoxy)benzenesulfonamide, used as antidiabetic agents HOFFMANN-LA ROCHE INC. 2007-12-06 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-20070281979-A1 Fructose-1,6-bisphosphatase (FBPase) inhibitors, such as N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]3(difluoromethoxy)benzenesulfonamide, used as antidiabetic agents FBP1, PFKFB1, PFKFB3 CCNE1 659/4885CDK2 520/4885CDK5 890/4885

“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.