SCHEMBL4996407

SCHEMBL4996407

C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.36
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.32

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
SCHEMBL5131640 1.00 BTK (0.36) BTKTSHRKMT2AGAA
SCHEMBL2712968 0.98 TSHR (0.37) BTKTSHRKMT2AGAA
SCHEMBL9744380 0.98 TSHR (0.37) BTKTSHRKMT2AGAA
SCHEMBL647264 0.98 TSHR (0.37) BTKTSHRKMT2AGAA
SCHEMBL9744375 0.98 TSHR (0.37) BTKTSHRKMT2AGAA
SCHEMBL4328796 0.98 TSHR (0.37) BTKTSHRKMT2AGAA
SCHEMBL3672475 0.98 BTK (0.36) BTKTSHRKMT2A
Hydrochloric Acid SCHEMBL30546580 0.97 TSHR (0.36) BTKTSHRKMT2AGAA
SCHEMBL2350718 0.93 KMT2A (0.34) BTKKMT2AGAA
SCHEMBL2350728 0.93 KMT2A (0.34) BTKKMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10258602-B2 Macrocyclic ghrelin receptor modulators and methods of using the same OCERA THERAPEUTICS, INC. (US) 2019-04-16 US disclosed
US-10035777-B2 Heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-07-31 US disclosed
US-9949949-B2 Macrocyclic ghrelin receptor modulators and methods of using the same OCERA THERAPEUTICS, INC. (US) 2018-04-24 US disclosed
US-20170260145-A1 HETEROCYCLIC KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-09-14 US disclosed
US-20170042858-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME MALLINCKRODT PHARMA IP TRADING UNLIMITED COMPANY 2017-02-16 US disclosed
EP-2118080-B1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME OCERA THERAPEUTICS INC (US) 2016-08-31 EP disclosed
EP-2644618-B1 tether intermediates for the synthesis of macrocyclic ghrelin receptor modulators OCERA THERAPEUTICS INC (US) 2016-08-17 EP disclosed
US-9371297-B2 Macrocyclic ghrelin receptor modulators and methods of using the same OCERA THERAPEUTICS, INC. (US) 2016-06-21 US disclosed
EP-2644618-A1 tether intermediates for the synthesis of macrocyclic ghrelin receptor modulators Tranzyme Pharma, Inc. (CA) 2013-10-02 EP disclosed
US-20080194672-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME TRANZYME PHARMA INC. 2008-08-14 US disclosed
US-20080021025-A1 INHIBITORS OF CATHEPSIN S LIU HONG 2008-01-24 US disclosed
US-7297714-B2 Selective in presence of at least one other cathepsin isozyme; such as (3-cyclopentyl-{[5-(3-fluoro-phenyl)-furan-2-carbonyl]-amino}-propionylamino)-4-oxo-butyric acid IRM LLC (BM) 2007-11-20 US disclosed
EP-1677782-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2006-07-12 EP disclosed
US-20050130959-A1 Inhibitors of cathepsin S IRM LLC (BM) 2005-06-16 US disclosed
WO-2005039496-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2005-05-06 WO disclosed
US-5128448-A Peptide hormones HOFFMAN-LA ROCHE INC. (US) 1992-07-07 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 (7 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-20080021025-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ BTK 2847/4885TSHR 3750/4885KMT2A 4282/4885
US-10258602-B2 Macrocyclic ghrelin receptor modulators and methods of using the same GHSR, GHRHR, GIPR BTK 4036/4885TSHR 64/4885KMT2A 1898/4885
US-20170042858-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME GHSR, GHRHR, GIPR BTK 4126/4885TSHR 72/4885KMT2A 1400/4885
US-20050130959-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ BTK 2847/4885TSHR 3750/4885KMT2A 4282/4885
US-20170260145-A1 HETEROCYCLIC KINASE INHIBITORS AAK1, NCK1, DAPK2 BTK 510/4885TSHR 4742/4885KMT2A 2190/4885
US-10035777-B2 Heterocyclic kinase inhibitors AAK1, NCK1, DAPK2 BTK 510/4885TSHR 4742/4885KMT2A 2190/4885
US-20080194672-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME GHSR, GHRHR, GIPR BTK 4036/4885TSHR 64/4885KMT2A 1898/4885

“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.