SCHEMBL5152764

SCHEMBL5152764

CC(C)(C)OC(=O)N1[C@@H](c2ccccc2)CC[C@@]1(C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.44
RORC P51449 4/20 0.42
RIPK1 Q13546 4/20 0.42
ABCB1 P08183 1/20 0.42
NR1H2 P55055 5/20 0.40
NR1H3 Q13133 4/20 0.40
RXRA P19793 2/20 0.40
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
KDM1A O60341 1/20 0.38

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
SCHEMBL29388249 0.90 GPR119 (0.38) GPR119RORCABCB1
SCHEMBL28285321 0.90 GPR119 (0.43) GPR119RORCRIPK1ABCB1NR1H2
SCHEMBL31479820 0.87 RIPK1 (0.47) GPR119RIPK1NR1H2NR1H3RXRA
SCHEMBL16004572 0.87 RORC (0.44) GPR119RORCRIPK1ABCB1NR1H2
SCHEMBL483518 0.86 YAP1 (0.45) KDM4E
SCHEMBL483557 0.86 YAP1 (0.45) KDM4E
SCHEMBL484203 0.86 YAP1 (0.45) KDM4E
Ethane SCHEMBL483694 0.86 YAP1 (0.45) KDM4E
SCHEMBL483558 0.86 YAP1 (0.45) KDM4E
SCHEMBL483409 0.84 KCNH2 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7205409-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2007-04-17 US disclosed
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 US disclosed
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 US disclosed
US-20050131019-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2005-06-16 US disclosed
US-20040229858-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-18 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 (3 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-20050131019-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 GPR119 7/4885RORC 1341/4885RIPK1 1244/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 GPR119 233/4885RORC 307/4885RIPK1 4081/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 GPR119 192/4885RORC 434/4885RIPK1 4049/4885

“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.