SCHEMBL5548398

SCHEMBL5548398

CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)Nc2cc(F)c(F)cc2F)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.47
KDM1A O60341 1/20 0.42
MAOB P27338 1/20 0.42
BRAF P15056 1/20 0.41
KMT2A Q03164 3/20 0.41
CDK9 P50750 1/20 0.40
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
KAT6A Q92794 1/20 0.38
KAT5 Q92993 1/20 0.38
DRD2 P14416 2/20 0.38
HSD11B1 P28845 1/20 0.38
GAA P10253 1/20 0.38
CCR1 P32246 1/20 0.37
ACACB O00763 1/20 0.37
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
SCHEMBL3907863 1.00 BTK (0.47) BTKKDM1AMAOBBRAFKMT2A
SCHEMBL3900663 0.89 TSHR (0.46) BTKKDM1AMAOBBRAFKMT2A
Trifluoroacetic Acid SCHEMBL3904473 0.84 TSHR (0.45) BTKKDM1AMAOBBRAFKMT2A
SCHEMBL5548391 0.80 DRD2 (0.43) BTKKDM1AMAOBKMT2ANFKB1
SCHEMBL5548387 0.80 DRD2 (0.43) BTKKDM1AMAOBKMT2ANFKB1
SCHEMBL5548393 0.80 DRD2 (0.43) BTKKDM1AMAOBKMT2ANFKB1
SCHEMBL7097967 0.78 KMT2A (0.51) BTKKDM1AMAOBKMT2ACDK9
SCHEMBL25674698 0.78 AAK1 (0.43) BTKKDM1AMAOBKMT2ACDK9
SCHEMBL3899442 0.77 ALDH1A1 (0.55) BTKKDM1AMAOBKMT2AL3MBTL1
SCHEMBL14725520 0.77 CYP17A1 (0.48) BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050192324-A1 Novel dipeptidyl peptidase IV inhibitors; processes for their preparation and compositions thereof GLENMARK PHARMACEUTICALS LTD. (IN) 2005-09-01 US claimed
US-7230002-B2 Dipeptidyl peptidase IV inhibitors; processes for their preparation and compositions thereof GLENMARK PHARMACEUTICALS LTD. (IN) 2007-06-12 US disclosed
US-20050192324-A1 Novel dipeptidyl peptidase IV inhibitors; processes for their preparation and compositions thereof GLENMARK PHARMACEUTICALS LTD. (IN) 2005-09-01 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-20050192324-A1 Novel dipeptidyl peptidase IV inhibitors; processes for their preparation and compositions thereof DPP4, DPP3, DPP7 BTK 3888/4885KDM1A 2466/4885MAOB 2337/4885

“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.