SCHEMBL2853529

SCHEMBL2853529

COC(=O)N(C1c2ccccc2-c2ccccc21)[C@@H](CCNC(=O)OC(C)(C)C)C(=O)N1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.38
MALT1 Q9UDY8 1/20 0.37
DRD2 P14416 5/20 0.36
CD274 Q9NZQ7 1/20 0.36
KCNA5 P22460 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
ALDH1A1 P00352 1/20 0.34
CTSD P07339 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
NAMPT P43490 1/20 0.34

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
SCHEMBL956357 0.88 POLB (0.39) POLBTSHRMALT1DRD2GAA
SCHEMBL4717209 0.83 MALT1 (0.43) MALT1DRD2KCNA5GAAKMT2A
SCHEMBL4612508 0.83 MALT1 (0.43) MALT1DRD2KCNA5GAAKMT2A
SCHEMBL4719257 0.81 MALT1 (0.41) MALT1DRD2KCNA5GAAKMT2A
SCHEMBL951564 0.79 POLB (0.40) POLBTSHRGAAKMT2AALDH1A1
SCHEMBL4599868 0.78 KMT2A (0.47) MALT1DRD2KCNA5GAAKMT2A
SCHEMBL1637220 0.78 KMT2A (0.47) MALT1DRD2KCNA5GAAKMT2A
SCHEMBL4600039 0.78 KMT2A (0.47) MALT1DRD2KCNA5GAAKMT2A
SCHEMBL4599808 0.77 TPSAB1 (0.44) MALT1DRD2GAAKMT2AALDH1A1
SCHEMBL4600306 0.77 TPSAB1 (0.44) MALT1DRD2GAAKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362236-B2 Macrocyclic compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2013-01-29 US disclosed
EP-2119718-B1 MACROCYCLIC COMPOUND CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-04-11 EP disclosed
US-20100056510-A1 Macrocyclic Compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-04 US disclosed
EP-2119718-A1 MACROCYCLIC COMPOUND Chugai Seiyaku Kabushiki Kaisha (JP) 2009-11-18 EP 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-20100056510-A1 Macrocyclic Compound HSP90AB1, HSP90B1, HSP90AA1 POLB 3420/4885TSHR 1878/4885MALT1 1703/4885

“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.