SCHEMBL22256923

SCHEMBL22256923

CN(C(=O)OCc1ocnc1-c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SLCO1B1 Q9Y6L6 4/20 0.38
▸ DGAT1 O75907 2/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ ABCB11 O95342 1/20 0.33
▸ LIPG Q9Y5X9 5/20 0.33
▸ LPL P06858 4/20 0.33
▸ PDE3B Q13370 1/20 0.32
▸ PDE3A Q14432 1/20 0.32
▸ S1PR1 P21453 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31

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
SCHEMBL22256579 0.88 SLCO1B1 (0.40) SLCO1B1DGAT1HIF1AABCB11PDE3B
SCHEMBL24287812 0.86 SLCO1B1 (0.34) SLCO1B1ABCB11PDE3BPDE3AS1PR1
SCHEMBL22256622 0.85 SLCO1B1 (0.43) SLCO1B1ABCB11PDE3BPDE3AS1PR1
SCHEMBL22257039 0.83 SLCO1B1 (0.42) SLCO1B1ABCB11PDE3BPDE3AS1PR1
SCHEMBL22256661 0.83 SLCO1B1 (0.44) SLCO1B1DGAT1HIF1AABCB11LIPG
SCHEMBL22257087 0.82 SLCO1B1 (0.34) SLCO1B1PDE3BPDE3A
SCHEMBL21107482 0.81 SLCO1B1 (0.44) SLCO1B1
SCHEMBL22256894 0.81 SLCO1B1 (0.40) SLCO1B1HIF1AABCB11LIPGLPL
SCHEMBL19715922 0.81 SLCO1B1 (0.60) SLCO1B1ABCB11LIPGLPLPDE3B
SCHEMBL24042959 0.80 DGAT1 (0.43) DGAT1LIPGLPL

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-20220079928-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONIST AND PREPARATION METHOD THEREFOR WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2022-03-17 — — US disclosed
EP-3912975-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND PREPARATION METHOD THEREFOR Wuhan LL Science And Technology Development Co., Ltd. (CN) 2021-11-24 — — EP disclosed
WO-2020147739-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND PREPARATION METHOD THEREFOR 武汉朗来科技发展有限公司 2020-07-23 — — 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-20220079928-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONIST AND PREPARATION METHOD THEREFOR LPAR1, LPAR2, LPAR4 SLCO1B1 3685/4885DGAT1 157/4885HIF1A 3129/4885

“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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