SCHEMBL15083528

SCHEMBL15083528

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(NC(=O)C(C)C)nc43)C[C@@H]2OP(=O)(O)Oc2ccccc2Cl)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.49
▸ TYMP P19971 4/20 0.42
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38
▸ P2RY1 P47900 1/20 0.35
▸ POLA1 P09884 1/20 0.33
▸ TERT O14746 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
SCHEMBL10788490 0.93 KDM4E (0.49) KDM4ETYMPTAS1R3TAS1R1P2RY1
SCHEMBL23157264 0.91 KDM4E (0.48) KDM4ETYMPTAS1R3TAS1R1POLA1
Pyridine SCHEMBL10491050 0.91 KDM4E (0.47) KDM4ETYMPTAS1R3TAS1R1P2RY1
SCHEMBL3820892 0.87 KDM4E (0.56) KDM4ETYMPTAS1R3TAS1R1P2RY1
SCHEMBL11016436 0.86 KDM4E (0.45) KDM4ETYMPTAS1R3TAS1R1POLA1
SCHEMBL30622441 0.85 KDM4E (0.49) KDM4ETYMPTAS1R3TAS1R1P2RY1
SCHEMBL31724038 0.85 KDM4E (0.48) KDM4ETYMPTAS1R3TAS1R1P2RY1
SCHEMBL21828783 0.85 KDM4E (0.53) KDM4ETYMPTAS1R3TAS1R1P2RY1
SCHEMBL14063336 0.85 KDM4E (0.53) KDM4ETYMPTAS1R3TAS1R1P2RY1
SCHEMBL17911710 0.85 KDM4E (0.53) KDM4ETYMPTAS1R3TAS1R1P2RY1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2013100132-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD 中外製薬株式会社 (JP) 2013-07-04 — — 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 (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-20150080549-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD VIP, NGLY1, GLP1R KDM4E 4623/4885TYMP 2728/4885TAS1R3 1045/4885

“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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