SCHEMBL6958495

SCHEMBL6958495

CC(C)(C)OC(=O)Nc1ccc2c(c1)C(C)(C)CC(O)O2

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 3/20 0.48
SIRT1 Q96EB6 2/20 0.48
RORC P51449 15/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 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
SCHEMBL6953246 0.80 RORC (0.46) SIRT2SIRT1RORC
SCHEMBL6342783 0.76 CA12 (0.43) SIRT2SIRT1RORCCA12CA1
SCHEMBL12470702 0.74 SIRT2 (0.62) SIRT2SIRT1RORCCA12CA1
SCHEMBL17602378 0.73 CA12 (0.44) SIRT2SIRT1RORCCA12CA1
SCHEMBL29922372 0.72 CA12 (0.46) SIRT2SIRT1CA12CA1CA9
SCHEMBL30648687 0.72 CA12 (0.45) SIRT2SIRT1CA12CA1CA9
SCHEMBL26640649 0.72 CA12 (0.45) SIRT2SIRT1CA12CA1CA9
SCHEMBL21788610 0.71 SIRT2 (0.61) SIRT2SIRT1RORCCA12CA1
SCHEMBL29921889 0.71 CA12 (0.47) CA12CA1CA9HCRTR1HCRTR2
SCHEMBL14484923 0.71 NPC1 (0.66)

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-20030130342-A1 Glycoprotein llb/llla antagonists FISHER MATTHEW J (US) 2003-07-10 US disclosed
EP-0804431-B9 GLYCOPROTEIN IIb/IIIa ANTAGONISTS LILLY CO ELI (US) 2003-01-02 EP disclosed
EP-0804431-B1 GLYCOPROTEIN IIb/IIIa ANTAGONISTS LILLY CO ELI (US) 2002-07-24 EP disclosed
US-6020362-A ANTICOAGULANTS ELI LILLY AND COMPANY (US) 2000-02-01 US disclosed
US-5731324-A Glycoprotein IIb/IIIa antagonists ELI LILLY AND COMPANY (US) 1998-03-24 US disclosed
EP-0815105-A1 HETEROCYCLIC SUBSTITUTED PIPERAZINONE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS HOECHST MARION ROUSSEL, INC. (US) 1998-01-07 EP disclosed
WO-1996028441-A1 HETEROCYCLIC SUBSTITUTED PIPERAZINONE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS HOECHST MARION ROUSSEL, INC. (US) 1996-09-19 WO disclosed
WO-1996022288-A1 GLYCOPROTEIN IIb/IIIa ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-07-25 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-20030130342-A1 Glycoprotein llb/llla antagonists SELL, SELPLG, LY96 SIRT2 3207/4885SIRT1 3131/4885RORC 3479/4885

“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.