SCHEMBL22256699

SCHEMBL22256699

Cc1noc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)c1COC(=O)N(C)C1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLCO1B1 Q9Y6L6 4/20 0.53
▸ DGAT1 O75907 2/20 0.36
▸ LPAR1 Q92633 5/20 0.36
▸ ABCB11 O95342 1/20 0.36
▸ SLC6A9 P48067 1/20 0.34
▸ USP30 Q70CQ3 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ HIF1A Q16665 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL22230799 0.88 SLCO1B1 (0.61) SLCO1B1LPAR1SLC6A9ALDH1A1MEN1
SCHEMBL25237116 0.86 SLCO1B1 (0.55) SLCO1B1LPAR1ABCB11SLC6A9ALDH1A1
SCHEMBL22257103 0.85 SLCO1B1 (0.60) SLCO1B1LPAR1ABCB11SLC6A9ALDH1A1
SCHEMBL22230697 0.85 SLCO1B1 (0.60) SLCO1B1LPAR1ABCB11SLC6A9ALDH1A1
SCHEMBL22230803 0.83 SLCO1B1 (0.58) SLCO1B1LPAR1ABCB11SLC6A9ALDH1A1
SCHEMBL22230674 0.81 SLCO1B1 (0.47) SLCO1B1SLC6A9ALDH1A1MEN1KMT2A
SCHEMBL24043001 0.81 SLCO1B1 (0.56) SLCO1B1LPAR1ABCB11SLC6A9ALDH1A1
SCHEMBL24555938 0.80 SLCO1B1 (0.64) SLCO1B1LPAR1ABCB11SLC6A9ALDH1A1
SCHEMBL22256579 0.80 SLCO1B1 (0.40) SLCO1B1DGAT1ABCB11USP30HIF1A
SCHEMBL25237327 0.79 SLCO1B1 (0.60) SLCO1B1LPAR1ABCB11SLC6A9ALDH1A1

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 157/4885LPAR1 1/4885

“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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