SCHEMBL10128539

SCHEMBL10128539

CC(C)(C)OC(=O)N1CC2=C(CN(OC(=O)C(=O)O)C2)C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NR1H2 P55055 3/20 0.39
GPR119 Q8TDV5 1/20 0.37
ESR2 Q92731 1/20 0.37
ADORA1 P30542 1/20 0.36
MAPK1 P28482 1/20 0.36
NAMPT P43490 1/20 0.36
RORC P51449 1/20 0.35
HDAC1 Q13547 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL2292608 0.84 USP2 (0.52) USP2SMN1; SMN2NR1H2GPR119ESR2
SCHEMBL17629419 0.81 USP2 (0.46) USP2SMN1; SMN2NR1H2GPR119ESR2
SCHEMBL25770784 0.80 KDM4E (0.44) NR1H2GPR119MAPK1NAMPTRORC
SCHEMBL17611204 0.78 USP2 (0.46) USP2SMN1; SMN2NR1H2ESR2MAPK1
SCHEMBL14043923 0.78 USP2 (0.46) USP2SMN1; SMN2NR1H2GPR119ESR2
SCHEMBL3402775 0.77 ELANE (0.35) USP2SMN1; SMN2NR1H2ESR2NAMPT
SCHEMBL18668387 0.76 USP2 (0.44) USP2SMN1; SMN2NR1H2ESR2MAPK1
SCHEMBL25770783 0.75 USP2 (0.43) USP2SMN1; SMN2NR1H2GPR119ESR2
SCHEMBL18669485 0.73 HSD17B10 (0.43) USP2SMN1; SMN2NR1H2GPR119NAMPT
SCHEMBL1394242 0.73 USP2 (0.44) USP2SMN1; SMN2NR1H2GPR119ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120010186-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2012-01-12 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-20120010186-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, FASN USP2 4542/4885SMN1; SMN2 2174/4885NR1H2 69/4885

“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.