SCHEMBL16574822

SCHEMBL16574822

COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2OP(=O)(OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2OP(=O)(OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)Oc2ccccc2Cl)Oc2ccccc2Cl)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.34
▸ TYMS P04818 2/20 0.33
▸ TK1 P04183 4/20 0.33
▸ RNASE1 P07998 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
SCHEMBL17964368 0.92 POLB (0.33) POLBTYMSTK1
SCHEMBL31683982 0.92 POLB (0.33) POLBTYMSTK1
SCHEMBL16574847 0.92 POLB (0.35) POLBRNASE1
SCHEMBL16289011 0.91 POLB (0.31) POLB
SCHEMBL29540185 0.90 TERT (0.33) POLBRNASE1
SCHEMBL16574834 0.90 TERT (0.33) POLBRNASE1
SCHEMBL16289013 0.90 POLB (0.31) POLB
SCHEMBL16574864 0.90 KDM4E (0.40) POLB
SCHEMBL22984007 0.89 RNASE1 (0.40) TYMSTK1RNASE1
SCHEMBL2031822 0.89 RNASE1 (0.40) TYMSTK1RNASE1

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-11891457-B2 Peptide-compound cyclization method CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-02-06 — — US disclosed
EP-3974563-A1 CYCLIC PEPTIDES Chugai Seiyaku Kabushiki Kaisha (JP) 2022-03-30 — — EP disclosed
US-9409952-B2 Peptide-compound cyclization method CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-08-09 — — US disclosed
US-20150080549-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-03-19 — — 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 (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-11891457-B2 Peptide-compound cyclization method VIP, NGLY1, GLP1R POLB 4572/4885TYMS 1920/4885TK1 3864/4885
US-20150080549-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD VIP, NGLY1, GLP1R POLB 4572/4885TYMS 1920/4885TK1 3864/4885

“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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