SCHEMBL2385473

SCHEMBL2385473

CC(C)(C)OC(=O)NCC1CCN(c2nsnc2OCc2ccncc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.49
SKP1 P63208 1/20 0.49
SKP2 Q13309 1/20 0.49
ACACB O00763 8/20 0.44
ACACA Q13085 8/20 0.44
DRD2 P14416 2/20 0.44
F10 P00742 2/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
SIRT3 Q9NTG7 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
PRMT5 O14744 1/20 0.40
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL2384061 0.80 GPR119 (0.63) ALDH1A1ALOX15TSHRMAPK1HSD17B10
SCHEMBL2383853 0.79 LDHA (0.44) F10ALDH1A1ALOX15TSHRMAPK1
SCHEMBL2385162 0.78 CKS1B (0.49) CKS1BSKP1SKP2ACACBACACA
SCHEMBL803332 0.78 CKS1B (0.56) CKS1BSKP1SKP2ACACBACACA
SCHEMBL2384241 0.77 ALDH1A1 (0.54) F10ALDH1A1ALOX15TSHRMAPK1
SCHEMBL12251225 0.77 ALDH1A1 (0.53) ALDH1A1ALOX15TSHRMAPK1HSD17B10
SCHEMBL2385264 0.77 GPR119 (0.59) CKS1BSKP1SKP2ALDH1A1ALOX15
Hydrochloric Acid SCHEMBL2384760 0.76 ALDH1A1 (0.52) ALDH1A1ALOX15TSHRMAPK1HSD17B10
SCHEMBL14019295 0.76 DRD2 (0.51) CKS1BSKP1SKP2ACACBACACA
SCHEMBL5366155 0.75 ALDH1A1 (0.52) CKS1BSKP1SKP2ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 US disclosed
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 US disclosed
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 US disclosed
EP-1608373-A2 TIE-2 MODULATORS AND METHODS OF USE Exelixis Inc. (US) 2005-12-28 EP disclosed
WO-2004083235-A2 TIE-2 MODULATORS AND METHODS OF USE EXELIXIS INC. (US) 2004-09-30 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-20070275952-A1 Tie-2 Modulators and Methods of Use TIE1, TEK, KDR CKS1B 192/4885SKP1 918/4885SKP2 372/4885

“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.