SCHEMBL7080917

SCHEMBL7080917

Cc1nc(-c2cccc(NC3(C(=O)O)CCSCC3)c2)no1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.53
TP53 P04637 5/20 0.53
POLB P06746 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 4/20 0.44
MAPK1 P28482 2/20 0.44
HTT P42858 2/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FFAR4 Q5NUL3 1/20 0.41
HAVCR2 Q8TDQ0 2/20 0.41
RAF1 P04049 1/20 0.40
BRAF P15056 1/20 0.40
SYK P43405 1/20 0.40
CA2 P00918 1/20 0.39
PLK1 P53350 1/20 0.39

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
SCHEMBL7083964 0.90 MAPT (0.53) MAPTTP53POLBL3MBTL1LMNA
SCHEMBL7078173 0.89 MAPT (0.52) MAPTTP53POLBL3MBTL1LMNA
SCHEMBL7081126 0.88 MAPT (0.51) MAPTTP53POLBL3MBTL1LMNA
SCHEMBL7076779 0.86 MAPT (0.52) MAPTTP53POLBL3MBTL1LMNA
SCHEMBL6991506 0.85 MAPT (0.50) MAPTTP53POLBL3MBTL1LMNA
SCHEMBL7079022 0.83 MAPT (0.46) MAPTTP53POLBLMNAMAPK1
SCHEMBL7084127 0.82 GPR119 (0.49) MAPTTP53POLBLMNAMAPK1
SCHEMBL7079028 0.80 F10 (0.47) MAPTTP53POLBCA2
SCHEMBL6991634 0.76 MAPT (0.42) MAPTTP53POLBLMNAMAPK1
SCHEMBL7084130 0.76 MAPT (0.44) MAPTTP53POLBL3MBTL1LMNA

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-20030162814-A1 N-substituted 1-amino-1,1-dialkylcarboxylic acid derivatives MERCK PATENT GMBH (DE) 2003-08-28 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-20030162814-A1 N-substituted 1-amino-1,1-dialkylcarboxylic acid derivatives F5, CCNY, F2 MAPT 4873/4885TP53 3684/4885POLB 2013/4885

“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.