SCHEMBL23199844

SCHEMBL23199844

C[N+](C)(C)CCOP(=O)(O)OP(=O)(OCC[N+](C)(C)C)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.64
GLA P06280 1/20 0.64
P2RY2 P41231 8/20 0.62
P2RY6 Q15077 6/20 0.55
P2RY4 P51582 5/20 0.55
ST6GAL1 P15907 4/20 0.53
LMNA P02545 1/20 0.52
THRB P10828 1/20 0.52
MTOR P42345 1/20 0.52
MDM2 Q00987 1/20 0.52
NCOA1 Q15788 1/20 0.52
NCOA3 Q9Y6Q9 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL6402546 0.94 TSHR (0.65) TSHRGLAP2RY2P2RY6P2RY4
Citicoline SCHEMBL14235352 0.94 P2RY2 (0.70) TSHRGLAP2RY2P2RY6P2RY4
Citicoline SCHEMBL13933086 0.94 P2RY2 (0.70) TSHRGLAP2RY2P2RY6P2RY4
Citicoline SCHEMBL29356848 0.94 P2RY2 (0.70) TSHRGLAP2RY2P2RY6P2RY4
Citicoline SCHEMBL8303928 0.94 P2RY2 (0.70) TSHRGLAP2RY2P2RY6P2RY4
SCHEMBL503812 0.92 TSHR (0.68) TSHRGLAP2RY2P2RY6P2RY4
Ammonia Solution, Strong SCHEMBL28018228 0.92 TSHR (0.67) TSHRGLAP2RY2P2RY6P2RY4
SCHEMBL27601953 0.92 TSHR (0.72) TSHRGLAP2RY2P2RY4ST6GAL1
Citicoline SCHEMBL4311534 0.91 TSHR (0.76) TSHRGLAP2RY2P2RY6P2RY4
Citicoline SCHEMBL25411862 0.91 TSHR (0.76) TSHRGLAP2RY2P2RY6P2RY4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3935961-A1 PARENTERAL NUTRITION FORMULATIONS Baxter International Inc (US) 2022-01-12 EP claimed
US-20210212936-A1 PARENTERAL NUTRITION FORMULATION BAXTER HEALTHCARE SA (CH) 2021-07-15 US claimed
EP-3801059-A1 PARENTERAL NUTRITION FORMULATION Baxter International Inc. (US) 2021-04-14 EP claimed
US-20260090983-A1 PARENTERAL NUTRITION FORMULATION BAXTER INT (US) 2026-04-02 US disclosed
EP-4696296-A2 PARENTERAL NUTRITION FORMULATION BAXTER INTERNATIONAL INC. (US) 2026-02-18 EP disclosed
US-20230263759-A1 PARENTERAL NUTRITION FORMULATION BAXTER HEALTHCARE SA (CH) 2023-08-24 US disclosed
US-11666548-B2 Parenteral nutrition formulation BAXTER INTERNATIONAL INC. (US) 2023-06-06 US disclosed
EP-4161486-A1 PARENTERAL NUTRITION FORMULATION Baxter International Inc. (US) 2023-04-12 EP disclosed
EP-3935961-A1 PARENTERAL NUTRITION FORMULATIONS Baxter International Inc (US) 2022-01-12 EP disclosed
US-20210378998-A1 Parenteral Nutrition Formulation BAXTER INTERNATIONAL INC. 2021-12-09 US disclosed
US-20210212936-A1 PARENTERAL NUTRITION FORMULATION BAXTER HEALTHCARE SA (CH) 2021-07-15 US disclosed
EP-3801059-A1 PARENTERAL NUTRITION FORMULATION Baxter International Inc. (US) 2021-04-14 EP disclosed
CN-112203530-A Parenteral nutrition preparation 巴克斯特国际公司 2021-01-08 CN 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-20260090983-A1 PARENTERAL NUTRITION FORMULATION PHOSPHO1, PNLIP, PCTP TSHR 3876/4885GLA 2410/4885P2RY2 808/4885

“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.