SCHEMBL3105397

SCHEMBL3105397

CC(C)(C)OC(=O)N1CCC(C#N)(C(N)=S)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
CTSK P43235 1/20 0.39
JAK2 O60674 9/20 0.39
JAK1 P23458 9/20 0.39
HPGD P15428 1/20 0.38
EPHX2 P34913 1/20 0.37

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
SCHEMBL3105218 0.88 USP2 (0.45) USP2SMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL388054 0.84 USP2 (0.46) USP2SMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL5751932 0.81 USP2 (0.44) USP2SMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL1118079 0.79 USP2 (0.47) USP2SMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL849908 0.79 USP2 (0.47) USP2SMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL17632152 0.78 USP2 (0.41) USP2SMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL386890 0.78 SMN1; SMN2 (0.41) USP2SMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL1118226 0.77 USP2 (0.49) USP2SMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL1973674 0.77 USP2 (0.49) USP2SMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL2887782 0.77 USP2 (0.49) USP2SMN1; SMN2MEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 US disclosed
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 US disclosed
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 US disclosed
EP-2009006-A1 UREIDE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES TORAY INDUSTRIES, INC. (JP) 2008-12-31 EP disclosed
EP-2009006-A1 UREIDE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES TORAY INDUSTRIES, INC. (JP) 2008-12-31 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-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF UROD, UTS2R, SLC14A1 USP2 99/4885SMN1; SMN2 349/4885MEN1 1635/4885

“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.