SCHEMBL16288581

SCHEMBL16288581

CCOC(=O)[C@H](CS)NC(=O)CC(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.44
ACE P12821 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
CTSK P43235 5/20 0.41
CTSS P25774 4/20 0.41
KLK5 Q9Y337 1/20 0.39
SCN9A Q15858 1/20 0.39
PPARA Q07869 3/20 0.38
PPARG P37231 2/20 0.38
CAPN1 P07384 1/20 0.38

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
SCHEMBL16288582 1.00 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL1455920 0.88 CYP1A2 (0.61) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL1455923 0.88 CYP1A2 (0.61) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL16288297 0.88 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL16288295 0.88 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL23140704 0.83 KLK5 (0.49) ACECTSKCTSSKLK5PPARA
SCHEMBL16574591 0.83 KLK5 (0.49) ACECTSKCTSSKLK5PPARA
SCHEMBL314569 0.80 KDM4E (0.55) SMN1; SMN2ACEMAPTKDM4EGAA
SCHEMBL1564513 0.80 KDM4E (0.55) SMN1; SMN2ACEMAPTKDM4EGAA
SCHEMBL5819429 0.80 KDM4E (0.55) SMN1; SMN2ACEMAPTKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240166689-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-05-23 US disclosed
US-11891457-B2 Peptide-compound cyclization method CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-02-06 US disclosed
EP-2813512-B1 PEPTIDE-COMPOUND CYCLIZATION METHOD CHUGAI PHARMACEUTICAL CO LTD (JP) 2021-03-31 EP disclosed
US-20210061860-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2021-03-04 US disclosed
US-20160311858-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-10-27 US 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
EP-2813512-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD Chugai Seiyaku Kabushiki Kaisha (JP) 2014-12-17 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 (5 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 CYP1A2 4833/4885CYP2C9 4341/4885CYP2C19 3767/4885
US-20210061860-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD VIP, NGLY1, GLP1R CYP1A2 4833/4885CYP2C9 4341/4885CYP2C19 3767/4885
US-20240166689-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD VIP, NGLY1, GLP1R CYP1A2 4833/4885CYP2C9 4341/4885CYP2C19 3767/4885
US-20160311858-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD VIP, NGLY1, GLP1R CYP1A2 4833/4885CYP2C9 4341/4885CYP2C19 3767/4885
US-20150080549-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD VIP, NGLY1, GLP1R CYP1A2 4833/4885CYP2C9 4341/4885CYP2C19 3767/4885

“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.