SCHEMBL3493196

SCHEMBL3493196

C=CCC1(CC(=O)OC)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CNR2 P34972 1/20 0.38
EPHX2 P34913 1/20 0.37
EPHX1 P07099 1/20 0.36
F13A1 P00488 4/20 0.35
TGM2 P21980 4/20 0.35
TGM1 P22735 4/20 0.35
TSHR P16473 2/20 0.35
ALOX15 P16050 1/20 0.35
ATM Q13315 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
HPGD P15428 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL3494732 0.84 USP2 (0.43) USP2SMN1; SMN2EPHX2EPHX1F13A1
SCHEMBL19960620 0.83 USP2 (0.42) USP2SMN1; SMN2CNR2EPHX2EPHX1
SCHEMBL30289446 0.83 USP2 (0.42) USP2SMN1; SMN2EPHX2EPHX1F13A1
SCHEMBL16083938 0.80 USP2 (0.39) USP2SMN1; SMN2EPHX2EPHX1F13A1
SCHEMBL3493297 0.80 JAK2 (0.41) USP2SMN1; SMN2ALDH1A1
SCHEMBL2604310 0.79 PKM (0.46) USP2SMN1; SMN2EPHX2EPHX1F13A1
SCHEMBL31068605 0.79 USP2 (0.38) USP2SMN1; SMN2TSHRALOX15ATM
SCHEMBL7905900 0.79 ALDH1A1 (0.39) TSHRALDH1A1
SCHEMBL5240170 0.79 ALDH1A1 (0.40) USP2SMN1; SMN2CNR2EPHX2EPHX1
SCHEMBL1224512 0.78 USP2 (0.45) USP2SMN1; SMN2EPHX2EPHX1F13A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
EP-2123652-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-11-25 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-20100113418-A1 HETEROCYCLIC COMPOUND ACACA, ACAT1, CPT1B USP2 3819/4885SMN1; SMN2 889/4885CNR2 4207/4885

“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.