SCHEMBL4122534

SCHEMBL4122534

COC(=O)C(C)(C)OCC=O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.35
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
PKM P14618 1/20 0.31
LMNA P02545 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL4119963 0.81 DGAT1 (0.34) DGAT1TP53RAB9ALMNA
SCHEMBL28694851 0.81 DGAT1 (0.39) DGAT1
SCHEMBL4115289 0.75
SCHEMBL445544 0.75 DGAT1 (0.39) DGAT1TP53RAB9APKMLMNA
SCHEMBL21385708 0.74
SCHEMBL27277889 0.72 DGAT1 (0.34) DGAT1PKM
SCHEMBL10359638 0.71 CYP4F2 (0.41) DGAT1TP53RAB9ALMNAKMT2A
SCHEMBL4128811 0.71 TSHR (0.39) DGAT1TP53RAB9ALMNAKMT2A
SCHEMBL2015627 0.71 MGAM (0.37) DGAT1TP53RAB9APKMLMNA
SCHEMBL13391665 0.71 CYP4F2 (0.37) DGAT1TP53RAB9ALMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3802517-B1 ALKOXY-SUBSTITUTED PYRIDINYL DERIVATIVES AS LPA1 RECEPTOR ANTAGONISTS AND THEIR USE IN THE TREATMENT OF FIBROSIS IDORSIA PHARMACEUTICALS LTD (CH) 2022-12-21 EP disclosed
US-20210246116-A1 ALKOXY-SUBSTITUTED PYRIDINYL DERIVATIVES AS LPA1 RECEPTOR ANTAGONISTS AND THEIR USE IN THE TREATMENT OF FIBROSIS IDORSIA PHARMACEUTICALS LTD (CH) 2021-08-12 US disclosed
EP-3802517-A1 ALKOXY-SUBSTITUTED PYRIDINYL DERIVATIVES AS LPA1 RECEPTOR ANTAGONISTS AND THEIR USE IN THE TREATMENT OF FIBROSIS Idorsia Pharmaceuticals Ltd (CH) 2021-04-14 EP disclosed
WO-2019234115-A1 ALKOXY-SUBSTITUTED PYRIDINYL DERIVATIVES AS LPA1 RECEPTOR ANTAGONISTS AND THEIR USE IN THE TREATMENT OF FIBROSIS IDORSIA PHARMACEUTICALS LTD (CH) 2019-12-12 WO disclosed
US-20190119200-A1 TERTIARY AMIDES AND METHOD OF USE ABBVIE PHARMACEUTICAL TRADING (SHANGHAI) CO., LTD. (CN) 2019-04-25 US disclosed
WO-2017177004-A1 TERTIARY AMIDES AND METHOD OF USE ABBVIE INC. (US) 2017-10-12 WO disclosed
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
EP-1939205-A1 TRICYCLIC COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-07-02 EP disclosed
EP-1939205-A1 TRICYCLIC COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-07-02 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 (3 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-20210246116-A1 ALKOXY-SUBSTITUTED PYRIDINYL DERIVATIVES AS LPA1 RECEPTOR ANTAGONISTS AND THEIR USE IN THE TREATMENT OF FIBROSIS LPAR1, LPAR3, LPAR2 DGAT1 820/4885TP53 4729/4885RAB9A 2340/4885
US-20190119200-A1 TERTIARY AMIDES AND METHOD OF USE LPAR1, LPAR3, LPAR2 DGAT1 153/4885TP53 4402/4885RAB9A 1149/4885
US-20090181942-A1 TRICYCLIC COMPOUNDS FDFT1, COASY, HMGCR DGAT1 322/4885TP53 4463/4885RAB9A 4041/4885

“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.