SCHEMBL5578449

SCHEMBL5578449

CC(C)(C)OC(=O)N[C@H](C(=O)O)C(C)(C)c1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.56
PPARG P37231 9/20 0.56
PPARD Q03181 2/20 0.56
CTSK P43235 4/20 0.43
CTSS P25774 4/20 0.43
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
GABRB1 P18505 1/20 0.41
GABRB2 P47870 1/20 0.41
ATM Q13315 1/20 0.41
ELANE P08246 1/20 0.40

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
SCHEMBL14586587 0.91 PPARG (0.52) PPARAPPARGPPARDCTSKCTSS
SCHEMBL14586591 0.90 PPARG (0.51) PPARAPPARGPPARDCTSKCTSS
SCHEMBL57550 0.89 CTSS (0.49) PPARAPPARGPPARDCTSKCTSS
SCHEMBL5024738 0.89 CTSS (0.49) PPARAPPARGPPARDCTSKCTSS
SCHEMBL58394 0.89 CTSS (0.49) PPARAPPARGPPARDCTSKCTSS
SCHEMBL9963924 0.86 CTSS (0.52) PPARAPPARGPPARDCTSKCTSS
SCHEMBL18405913 0.86 CTSS (0.52) PPARAPPARGPPARDCTSKCTSS
SCHEMBL11330590 0.83 CTSS (0.49) PPARAPPARGPPARDCTSKCTSS
SCHEMBL11330591 0.83 CTSS (0.49) PPARAPPARGPPARDCTSKCTSS
SCHEMBL3163458 0.82 PPARA (0.52) PPARAPPARGPPARDCTSKCTSS

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-20070026478-A1 Hemiasterlin affinity probes and their uses WYETH (US) 2007-02-01 US disclosed
US-20070026478-A1 Hemiasterlin affinity probes and their uses WYETH (US) 2007-02-01 US disclosed
US-20040121965-A1 Method of treating resistant tumors WYETH HOLDINGS CORPORATION (US) 2004-06-24 US disclosed
WO-2004047615-A2 HEMIASTERLIN AFFINITY PROBES AND THEIR USES WYETH (US) 2004-06-10 WO disclosed
WO-2004026293-A2 HEMIASTERLIN DERIVATIVES FOR TREATING RESISTANT TUMORS WYETH HOLDINGS CORPORATION (US) 2004-04-01 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 (2 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-20070026478-A1 Hemiasterlin affinity probes and their uses TUBA1C, TUBB1, TUBB PPARA 3257/4885PPARG 3111/4885PPARD 3139/4885
US-20040121965-A1 Method of treating resistant tumors SLC11A2, VHL, REN PPARA 1366/4885PPARG 2118/4885PPARD 3609/4885

“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.