SCHEMBL4122345

SCHEMBL4122345

CS(=O)(=O)OCc1ccc(C#N)s1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 3/20 0.36
GRM5 P41594 1/20 0.36
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
NR1H3 Q13133 1/20 0.33
LOX P28300 1/20 0.30
LOXL2 Q9Y4K0 1/20 0.30

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
SCHEMBL17595984 0.82 KDM4E (0.37) LOXLOXL2
SCHEMBL3035345 0.75 PRMT6 (0.42)
SCHEMBL9901169 0.75 DPP4 (0.41) LOXLOXL2
SCHEMBL15270985 0.71 MAPK1 (0.33) LOX
SCHEMBL16472595 0.71
SCHEMBL10161043 0.70
SCHEMBL960878 0.69 MAPT (0.46) NR1D1NR1H3
SCHEMBL3130842 0.69 NR1D1 (0.35) NR1D1GRM5PDK1PDK2PDK3
SCHEMBL24612205 0.67 ALDH1A1 (0.40) NR1D1PDK1PDK2PDK3PDK4
SCHEMBL10206261 0.67 PRMT6 (0.55) NR1D1PDK1PDK2PDK3PDK4

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 NR1D1 10/4885GRM5 66/4885PDK1 3160/4885

“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.