SCHEMBL743917

SCHEMBL743917

COC(=O)c1cccc(-c2ccc3c(c2)C(=O)CC2(CCN(C(=O)OC(C)(C)C)CC2)O3)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.50
KMT2A Q03164 1/20 0.49
ACACB O00763 2/20 0.48
ACACA Q13085 2/20 0.48
HDAC3 O15379 4/20 0.47
HDAC4 P56524 4/20 0.47
HDAC1 Q13547 4/20 0.47
HDAC7 Q8WUI4 4/20 0.47
HDAC2 Q92769 4/20 0.47
HDAC10 Q969S8 4/20 0.47
HDAC11 Q96DB2 4/20 0.47
HDAC8 Q9BY41 4/20 0.47
HDAC6 Q9UBN7 4/20 0.47
HDAC9 Q9UKV0 4/20 0.47
HDAC5 Q9UQL6 4/20 0.47
CRBN Q96SW2 1/20 0.45
PKM P14618 1/20 0.44
EPHX2 P34913 1/20 0.44

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
SCHEMBL309037 0.92 GPR119 (0.58) GPR119KMT2AACACBACACAHDAC3
SCHEMBL308972 0.89 ACACB (0.51) GPR119KMT2AACACBACACAHDAC3
SCHEMBL18159367 0.84 HDAC3 (0.49) GPR119KMT2AHDAC3HDAC4HDAC1
SCHEMBL7950811 0.84 KMT2A (0.49) GPR119KMT2AACACBACACAHDAC3
SCHEMBL730422 0.83 ACACB (0.51) GPR119KMT2AACACBACACAHDAC3
SCHEMBL742279 0.82 KMT2A (0.48) GPR119KMT2AACACBACACAHDAC3
SCHEMBL308995 0.82 HDAC3 (0.52) KMT2AACACBACACAHDAC3HDAC4
SCHEMBL731952 0.81 KMT2A (0.45) GPR119KMT2AHDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL309331 0.81 HDAC3 (0.51) KMT2AACACBACACAHDAC3HDAC4
SCHEMBL309010 0.81 KMT2A (0.58) GPR119KMT2AACACBACACAHDAC3

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
EP-2120569-B1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
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
WO-2008088692-A2 SPIROCHROMANON DERIVATIVES MERCK & CO., INC. (US) 2008-07-24 WO 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 GPR119 1243/4885KMT2A 3686/4885ACACB 77/4885

“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.