SCHEMBL23878002

SCHEMBL23878002

CS(=O)(=O)C(=O)C1CN(C(=O)O)CCO1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 4/20 0.44
▸ TSHR P16473 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ PKM P14618 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
SCHEMBL22164031 0.83 PDK1 (0.47) PDK1TSHRSMN1; SMN2MAPK1PKM
SCHEMBL26127911 0.79 PDK1 (0.49) PDK1SMN1; SMN2
SCHEMBL14167553 0.79 PDK1 (0.49) PDK1SMN1; SMN2
SCHEMBL4137922 0.78 PDK1 (0.66) PDK1SMN1; SMN2
SCHEMBL3516619 0.78 PDK1 (0.66) PDK1SMN1; SMN2
SCHEMBL27669802 0.78 PDK1 (0.66) PDK1SMN1; SMN2
SCHEMBL23397474 0.75 PDK1 (0.45) PDK1
SCHEMBL5187030 0.75 PDK1 (0.68) PDK1TSHRSMN1; SMN2
SCHEMBL21193315 0.73 GLRA1 (0.32) PDK1TSHRSMN1; SMN2MAPK1
SCHEMBL15321980 0.72 PDK1 (0.46) PDK1TSHRSMN1; SMN2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113272301-B Heterocyclic compound, intermediate, preparation method and application thereof 武汉朗来科技发展有限公司 2024-04-26 — — CN disclosed
US-20240034729-A9 HETEROCYCLIC COMPOUND, INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2024-02-01 — — US disclosed
US-20230068538-A1 HETEROCYCLIC COMPOUND, INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF WUHAN LL SCIENCE & TECHNOLOGY DEVELOPMENT CO LTD (CN) 2023-03-02 — — US disclosed
CN-111377917-B Heterocyclic compound, intermediate, preparation method and application thereof 武汉朗来科技发展有限公司 2022-12-06 — — CN disclosed
EP-3889154-A1 HETEROCYCLIC COMPOUND INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Wuhan LL Science And Technology Development Co., Ltd. (CN) 2021-10-06 — — EP disclosed
CN-113272301-A Heterocyclic compound, intermediate, preparation method and application thereof 武汉朗来科技发展有限公司 2021-08-17 — — CN disclosed
CN-111377917-A Heterocyclic compound, intermediate, preparation method and application thereof 武汉朗来科技发展有限公司 2020-07-07 — — 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 (2 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-20230068538-A1 HETEROCYCLIC COMPOUND, INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF P2RX3, P2RX7, P2RX4 PDK1 1951/4885TSHR 2680/4885SMN1; SMN2 3101/4885
US-20240034729-A9 HETEROCYCLIC COMPOUND, INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF P2RX3, P2RX7, P2RX4 PDK1 1951/4885TSHR 2680/4885SMN1; SMN2 3101/4885

“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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