SCHEMBL1096942

SCHEMBL1096942

COc1ccc(C(OC[C@@]23CO[C@@H]([C@H](n4cnc5c(=O)[nH]c(NC(=O)C(C)C)nc54)O2)[C@@H]3O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 6/20 0.45
▸ KDM4E B2RXH2 1/20 0.41
▸ TAS1R3 Q7RTX0 1/20 0.37
▸ TAS1R1 Q7RTX1 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ TAAR1 Q96RJ0 2/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ PDE9A O76083 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL19362152 1.00 TYMP (0.45) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL24513002 1.00 TYMP (0.45) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL25630145 0.93 TYMP (0.42) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL24513003 0.90 TYMP (0.40) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL30140997 0.87 TYMP (0.51) TYMPTAS1R3TAS1R1HPGDTAAR1
SCHEMBL23827271 0.86 TYMP (0.43) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL22408789 0.86 TYMP (0.48) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL19362174 0.86 TYMP (0.48) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL19356965 0.85 TYMP (0.44) TYMPTAS1R3TAS1R1HPGDTAAR1
SCHEMBL23425438 0.85 KDM4E (0.36) TYMPKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11267843-B2 Stereodefining L-monomers ROCHE INNOVATION CENTER COPENHAGEN A/S (DK) 2022-03-08 — — US disclosed
US-20200291056-A1 ACYL-PROTECTED L-LNA-GUANOSINE L-MONOMERS ROCHE INNOVATION CENTER COPENHAGEN A/S (DK) 2020-09-17 — — US disclosed
US-8153365-B2 Oligonucleotide analogues EXIQON A/S (DK) 2012-04-10 — — US disclosed
US-8080644-B2 Oligonucleotide analogues EXIQON A/S (DK) 2011-12-20 — — US disclosed
US-8034909-B2 Oligonucleotide analogues EXIQON A/S (DK) 2011-10-11 — — US disclosed
US-20110245327-A1 Oligonucleotide Analogues EXIQON A/S (DK) 2011-10-06 — — US disclosed
EP-2341058-A2 Oligonucleotide Analogues Exiqon A/S (DK) 2011-07-06 — — EP disclosed
EP-2341057-A2 Oligonucleotide Analogues Exiqon A/S (DK) 2011-07-06 — — EP disclosed
US-20100279895-A1 OLIGONUCLEOTIDE ANALOGUES EXIQON A/S (DK) 2010-11-04 — — US disclosed
US-20100267018-A1 OLIGONUCLEOTIDE ANALOGUES EXIQON A/S (DK) 2010-10-21 — — US disclosed
US-7572582-B2 Oligonucleotide analogues EXIQON A/S (DK) 2009-08-11 — — US disclosed
US-20050287566-A1 BICYCLIC LOCKED NUCLEOSIDE ANALOGUES; using an oligomer to isolate, purify, amplify, detect, identify, quantify or capture a natural or synthetic nucleic acid QIAGEN GMBH (DE) 2005-12-29 — — US disclosed
EP-1557424-A1 Bi-cyclic nucleoside, nucleotide and oligonucleoide analogues Exiqon A/S (DK) 2005-07-27 — — EP disclosed
US-6794499-B2 BICYCLIC LOCKED NUCLEOSIDE ANALOGUES EXIQON A/S (DK) 2004-09-21 — — US disclosed
US-6670461-B1 Bi-, tri, or polycyclic nucleoside analogues having a \"locked\" structure capable of forming heat resistant nucleobase specific duplexes and triplexes with single and double stranded nucleic acids. EXIQON A/S (DK) 2003-12-30 — — 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 (6 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-20100267018-A1 OLIGONUCLEOTIDE ANALOGUES POLRMT, POLM, POLN TYMP 19/4885KDM4E 4818/4885TAS1R3 3677/4885
US-20110245327-A1 Oligonucleotide Analogues POLRMT, POLM, POLN TYMP 19/4885KDM4E 4818/4885TAS1R3 3677/4885
US-20050287566-A1 BICYCLIC LOCKED NUCLEOSIDE ANALOGUES; using an oligomer to isolate, purify, amplify, detect, identify, quantify or capture a natural or synthetic nucleic acid POLRMT, POLM, POLN TYMP 61/4885KDM4E 4758/4885TAS1R3 4005/4885
US-11267843-B2 Stereodefining L-monomers RNMT, BCDIN3D, RNGTT TYMP 51/4885KDM4E 2867/4885TAS1R3 2187/4885
US-20200291056-A1 ACYL-PROTECTED L-LNA-GUANOSINE L-MONOMERS GDA, RNMT, RNGTT TYMP 23/4885KDM4E 4023/4885TAS1R3 4343/4885
US-20100279895-A1 OLIGONUCLEOTIDE ANALOGUES POLRMT, POLM, POLN TYMP 19/4885KDM4E 4818/4885TAS1R3 3677/4885

“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.

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