SCHEMBL15083158

SCHEMBL15083158

COC(=O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.45
▸ ALOX5 P09917 1/20 0.45
▸ FKBP1A P62942 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.44
▸ F2 P00734 1/20 0.44
▸ PREP P48147 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ FABP5 Q01469 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ACE P12821 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ FABP7 O15540 1/20 0.42
▸ TP53 P04637 1/20 0.42

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
SCHEMBL15803221 1.00 PDK2 (0.45) PDK2ALOX5FKBP1ANPSR1F2
SCHEMBL17020369 0.96 PREP (0.48) PDK2ALOX5FKBP1ANPSR1F2
SCHEMBL14417972 0.89 ALDH1A1 (0.46) FKBP1AF2ALDH1A1TSHRKMT2A
SCHEMBL29384614 0.89 ALDH1A1 (0.43) FKBP1ANPSR1F2PREPALDH1A1
SCHEMBL16316793 0.88 ALDH1A1 (0.44) NPSR1F2PREPALDH1A1FABP5
SCHEMBL15805130 0.88 ALDH1A1 (0.44) NPSR1F2PREPALDH1A1FABP5
SCHEMBL16316767 0.88 ALDH1A1 (0.44) NPSR1F2PREPALDH1A1FABP5
SCHEMBL10136487 0.87 F2 (0.48) PDK2NPSR1F2ALDH1A1TSHR
SCHEMBL16376892 0.87 F2 (0.48) PDK2NPSR1F2ALDH1A1TSHR
SCHEMBL118354 0.86 ALDH1A1 (0.58) F2PREPALDH1A1FABP5KMT2A

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 5 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
US-20150080549-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-03-19 — — US disclosed
EP-2813512-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD Chugai Seiyaku Kabushiki Kaisha (JP) 2014-12-17 — — EP 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 PDK2 3854/4885ALOX5 3987/4885FKBP1A 689/4885

“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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