SCHEMBL4129360

SCHEMBL4129360

CS(=O)(=O)OCc1c(OCc2ccc(C#N)cc2)ccc2c(CCC3CCN(C(=O)O)CC3)noc12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.41
PREP P48147 1/20 0.34
SLC6A9 P48067 1/20 0.34
YAP1 P46937 1/20 0.34
BCHE P06276 4/20 0.34
KDM1A O60341 1/20 0.34
CHRM4 P08173 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
MMP1 P03956 1/20 0.33
ADAM17 P78536 1/20 0.33
CA2 P00918 1/20 0.32

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
SCHEMBL4128394 0.92 GPR119 (0.42) ACHEGPR119
SCHEMBL4112441 0.90 ACHE (0.42) ACHEPREPYAP1BCHEKDM1A
SCHEMBL4124707 0.89 ACHE (0.44) ACHEPREPYAP1BCHEKDM1A
Dimethylamine SCHEMBL4112450 0.85 ACHE (0.42) ACHEPREPYAP1BCHEKDM1A
SCHEMBL4122307 0.82 GPR119 (0.43) ACHEYAP1GPR119
SCHEMBL4126759 0.82 ACHE (0.45) ACHEBCHE
SCHEMBL4120919 0.81 GPR119 (0.44) ACHEYAP1GPR119
SCHEMBL4119841 0.81 ACHE (0.38) ACHEBCHECHRM4GPR119
SCHEMBL4126858 0.81 ACHE (0.39) ACHEBCHEKDM1ACHRM4
SCHEMBL4133717 0.81 ACHE (0.47) ACHEBCHECHRM4

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-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
EP-2017275-A1 BENZISOXAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2009-01-21 EP 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-20090318690-A1 Benzisoxazole Compound NR1I2, NR1I3, NR0B1 ACHE 3716/4885PREP 4371/4885SLC6A9 1948/4885

“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.