SCHEMBL29398945

SCHEMBL29398945

COC(=O)C1(NC(=O)c2ccc(OC)c(OCCc3cccc(C)c3)c2)Cc2ccccc2C1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 6/20 0.67
▸ HDAC1 Q13547 2/20 0.44
▸ SMPD1 P17405 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ ACHE P22303 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ PDE4D Q08499 2/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ PDE4A P27815 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.40
▸ NOX1 Q9Y5S8 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ CTNNB1 P35222 1/20 0.40
▸ WNT3A P56704 1/20 0.40
▸ GPR132 Q9UNW8 1/20 0.40

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
SCHEMBL1561627 1.00 LPAR1 (0.67) LPAR1HDAC1SMPD1HDAC8HDAC6
SCHEMBL26242667 0.94 LPAR1 (0.64) LPAR1HDAC1SMPD1HDAC8HDAC6
SCHEMBL26242451 0.94 LPAR1 (0.64) LPAR1HDAC1SMPD1HDAC8HDAC6
SCHEMBL1561405 0.93 LPAR1 (0.67) LPAR1HDAC1SMPD1HDAC8HDAC6
Fipaxalparant SCHEMBL1560214 0.93 LPAR1 (0.78) LPAR1HDAC1SMPD1HDAC8HDAC6
Fipaxalparant SCHEMBL29382253 0.93 LPAR1 (0.78) LPAR1HDAC1SMPD1HDAC8HDAC6
Fipaxalparant SCHEMBL29398637 0.93 LPAR1 (0.78) LPAR1HDAC1SMPD1HDAC8HDAC6
SCHEMBL1561533 0.92 LPAR1 (0.67) LPAR1HDAC1SMPD1HDAC8HDAC6
Fipaxalparant SCHEMBL25385993 0.91 LPAR1 (0.65) LPAR1HDAC1SMPD1HDAC8HDAC6
SCHEMBL4222727 0.91 LPAR1 (0.57) LPAR1HDAC1SMPD1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4486719-A1 PROCESS OF MAKING A CRYSTALLINE EDG-2 RECEPTOR ANTAGONIST Horizon Therapeutics Ireland DAC (IE) 2025-01-08 — — EP claimed
WO-2023166346-A1 PROCESS OF MAKING A CRYSTALLINE EDG-2 RECEPTOR ANTAGONIST HORIZON THERAPEUTICS IRELAND DAC (IE) 2023-09-07 — — WO claimed
EP-4486719-A1 PROCESS OF MAKING A CRYSTALLINE EDG-2 RECEPTOR ANTAGONIST Horizon Therapeutics Ireland DAC (IE) 2025-01-08 — — EP disclosed
EP-4486328-A1 TREATMENT OF SYSTEMIC SCLEROSIS AND IDIOPATHIC PULMONARY FIBROSIS Horizon Therapeutics Ireland DAC (IE) 2025-01-08 — — EP disclosed
US-20230414547-A1 METHODS OF TREATING SYSTEMIC SCLEROSIS AND IDIOPATHIC PULMONARY FIBROSIS HORIZON THERAPEUTICS IRELAND DAC (IE) 2023-12-28 — — US disclosed
WO-2023166346-A1 PROCESS OF MAKING A CRYSTALLINE EDG-2 RECEPTOR ANTAGONIST HORIZON THERAPEUTICS IRELAND DAC (IE) 2023-09-07 — — WO disclosed
WO-2023166348-A1 TREATMENT OF SYSTEMIC SCLEROSIS AND IDIOPATHIC PULMONARY FIBROSIS HORIZON THERAPEUTICS IRELAND DAC (IE) 2023-09-07 — — WO disclosed
EP-4204392-A2 CRYSTALLINE EDG-2 RECEPTOR ANTAGONIST AND METHODS OF MAKING Sanofi (FR) 2023-07-05 — — EP disclosed
WO-2022043755-A2 CRYSTALLINE EDG-2 RECEPTOR ANTAGONIST AND METHODS OF MAKING SANOFI (FR) 2022-03-03 — — 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-20230414547-A1 METHODS OF TREATING SYSTEMIC SCLEROSIS AND IDIOPATHIC PULMONARY FIBROSIS LPAR2, LPAR1, LPAR3 LPAR1 2/4885HDAC1 484/4885SMPD1 37/4885

“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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