SCHEMBL6413431

SCHEMBL6413431

CN1C(=O)c2ccccc2C(C(=O)NCC[S+](C)[O-])C1c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.49
CASP1 P29466 1/20 0.49
HTT P42858 4/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
HSD17B10 Q99714 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 2/20 0.42
ALOX15 P16050 1/20 0.42
NPC1 O15118 1/20 0.41
TSHR P16473 2/20 0.41
FFAR1 O14842 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
MAPK1 P28482 1/20 0.39
TP53 P04637 1/20 0.39
MDM2 Q00987 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
SCHEMBL6415492 0.88 GLA (0.53) GLACASP1HTTALDH1A1MAPT
SCHEMBL6420494 0.88 GLA (0.53) GLACASP1HTTALDH1A1MAPT
SCHEMBL6413399 0.88 GLA (0.53) GLACASP1HTTALDH1A1MAPT
SCHEMBL6412389 0.86 GLA (0.51) GLACASP1HTTALDH1A1MAPT
SCHEMBL6414823 0.86 GLA (0.51) GLACASP1HTTALDH1A1MAPT
SCHEMBL6412304 0.85 GLA (0.51) GLACASP1HTTALDH1A1MAPT
SCHEMBL6413224 0.85 ALDH1A1 (0.60) GLACASP1HTTALDH1A1MAPT
SCHEMBL6411522 0.84 GLA (0.50) GLACASP1HTTALDH1A1MAPT
SCHEMBL6412345 0.84 GLA (0.47) GLACASP1HTTALDH1A1MAPT
SCHEMBL6418369 0.84 GLA (0.51) GLACASP1HTTALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124614-A1 3,4-Dihydroisoquinolin-1-one derivatives as inducers of apoptosis AXYS PHARMACEUTICALS, INC. (US) 2005-06-09 US claimed
US-20050124614-A1 3,4-Dihydroisoquinolin-1-one derivatives as inducers of apoptosis AXYS PHARMACEUTICALS, INC. (US) 2005-06-09 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-20050124614-A1 3,4-Dihydroisoquinolin-1-one derivatives as inducers of apoptosis CASP3, BAX, BAD GLA 2255/4885CASP1 12/4885HTT 3051/4885

“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.