SCHEMBL732811

SCHEMBL732811

CC(C)(C)[Si](C)(C)OC1CC2(CCN(C(=O)O)CC2)Oc2ccc(/C(N)=N\O)cc21

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 10/20 0.35
GPR119 Q8TDV5 1/20 0.32
HDAC3 O15379 2/20 0.32
HDAC4 P56524 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC7 Q8WUI4 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC10 Q969S8 2/20 0.32
HDAC11 Q96DB2 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC9 Q9UKV0 2/20 0.32
HDAC5 Q9UQL6 2/20 0.32
ACACB O00763 5/20 0.31
ACACA Q13085 4/20 0.31
CYP2C9 P11712 1/20 0.30
EPHX2 P34913 1/20 0.30
SCD O00767 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
SCHEMBL732812 1.00 IDO1 (0.35) IDO1GPR119HDAC3HDAC4HDAC1
SCHEMBL309455 0.91 IDO1 (0.41) IDO1GPR119
SCHEMBL309454 0.91 IDO1 (0.41) IDO1GPR119
SCHEMBL732818 0.81 IDO1 (0.43) IDO1
SCHEMBL731338 0.81 IDO1 (0.33) IDO1
SCHEMBL731339 0.81 IDO1 (0.33) IDO1
SCHEMBL15178373 0.79 IDO1 (0.43) IDO1GPR119HDAC1HDAC8HDAC6
SCHEMBL15178335 0.77 IDO1 (0.41) IDO1GPR119
SCHEMBL733219 0.76 RBP4 (0.35) IDO1GPR119
SCHEMBL14153125 0.76 IDO1 (0.43) IDO1GPR119HDAC3HDAC4HDAC1

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-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 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-20090270436-A1 SPIROCHROMANON DERIVATIVES AKR1C3, CBR3, AKR1C4 IDO1 280/4885GPR119 1243/4885HDAC3 107/4885

“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.