SCHEMBL22256653

SCHEMBL22256653

CN(C(=O)OCc1nocc1-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
▸ LIPG Q9Y5X9 4/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ LPL P06858 3/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ PDE3B Q13370 1/20 0.30
▸ PDE3A Q14432 1/20 0.30
▸ SIGMAR1 Q99720 1/20 0.30
▸ ABCB11 O95342 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
SCHEMBL22256627 0.85 SLCO1B1 (0.42) SLCO1B1S1PR1NPC1RAB9APDE3B
SCHEMBL22230668 0.83 SLCO1B1 (0.41) SLCO1B1S1PR1NPC1RAB9ASIGMAR1
SCHEMBL24042784 0.83 SLCO1B1 (0.43) SLCO1B1S1PR1NPC1RAB9ASIGMAR1
SCHEMBL24042962 0.82 SLCO1B1 (0.45) SLCO1B1S1PR1NPC1RAB9AABCB11
SCHEMBL22256930 0.80 SLCO1B1 (0.53) SLCO1B1S1PR1NPC1RAB9APDE3B
SCHEMBL21107482 0.79 SLCO1B1 (0.44) SLCO1B1
SCHEMBL22230799 0.79 SLCO1B1 (0.61) SLCO1B1LIPGS1PR1LPLHIF1A
SCHEMBL22256923 0.79 SLCO1B1 (0.38) SLCO1B1LIPGS1PR1LPLHIF1A
SCHEMBL22256661 0.76 SLCO1B1 (0.44) SLCO1B1LIPGLPLHIF1APDE3B
SCHEMBL22256894 0.76 SLCO1B1 (0.40) SLCO1B1LIPGS1PR1LPLHIF1A

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 3685/4885LIPG 190/4885S1PR1 18/4885

“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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