SCHEMBL1855321

SCHEMBL1855321

COC(=O)C(C)(CCCBr)C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
DGAT1 O75907 1/20 0.35

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
SCHEMBL4122676 0.83 CYP4F2 (0.40) TSHRDGAT1
SCHEMBL9419471 0.80 CA1 (0.41) TSHRDGAT1
SCHEMBL15233819 0.80 TSHR (0.37) TSHRDGAT1
SCHEMBL18797459 0.79 CYP4F2 (0.46) TSHR
SCHEMBL10636030 0.77 TSHR (0.34) TSHRDGAT1
SCHEMBL487136 0.77 MAPT (0.46) TSHR
SCHEMBL4650865 0.77 CYP4F2 (0.43) TSHRDGAT1
SCHEMBL11215497 0.75 CYP4F2 (0.46) TSHR
SCHEMBL13477323 0.75 CYP4F2 (0.34) DGAT1
SCHEMBL8986987 0.75 CYP4F2 (0.46) TSHRDGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10117946-B2 Self-assembling ultrashort peptides modified with bioactive agents by click chemistry AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-11-06 US disclosed
US-20150352220-A1 SELF-ASSEMBLING ULTRASHORT PEPTIDES MODIFIED WITH BIOACTIVE AGENTS BY CLICK CHEMISTRY AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-12-10 US disclosed
WO-2014104974-A2 SELF-ASSEMBLING ULTRASHORT PEPTIDES MODIFIED WITH BIOACTIVE AGENTS BY CLICK CHEMISTRY AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2014-07-03 WO disclosed
US-8163729-B2 Modulators of α7 nicotinic acetylcholine receptors and therapeutic uses thereof WYETH (US) 2012-04-24 US disclosed
EP-2323988-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS Wyeth LLC (US) 2011-05-25 EP disclosed
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-05-27 US disclosed
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-05-27 US disclosed
US-20100029606-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF WYETH (US) 2010-02-04 US disclosed
WO-2010009290-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-01-21 WO disclosed
WO-2010009290-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-01-21 WO disclosed
EP-2118067-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS Siena Biotech S.p.A. (IT) 2009-11-18 EP disclosed
WO-2008087529-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS SIENA BIOTECH S.P.A. (IT) 2008-07-24 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-20100029606-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF CHRNA7, CHRNA2, CHRNA6 TSHR 490/4885DGAT1 2691/4885
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 TSHR 410/4885DGAT1 1977/4885

“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.