SCHEMBL5239650

SCHEMBL5239650

CC(C)CC(=O)N1CCOC(C(=O)O)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 2/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ POLB P06746 4/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ ATM Q13315 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ MDM2 Q00987 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33

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
SCHEMBL26724934 0.88 PDK1 (0.42) PDK1SMN1; SMN2POLBNPSR1L3MBTL1
SCHEMBL26999870 0.82 PDK1 (0.61) PDK1POLBALDH1A1KMT2AMEN1
SCHEMBL17323641 0.79 PDK1 (0.57) PDK1SMN1; SMN2ALDH1A1KMT2AGAA
SCHEMBL19104797 0.78 PDK1 (0.51) PDK1SMN1; SMN2POLBNPSR1L3MBTL1
SCHEMBL1119076 0.76 PDK1 (0.62) PDK1SMN1; SMN2ALDH1A1KDM4ETDP1
SCHEMBL27172500 0.76 PDK1 (0.62) PDK1SMN1; SMN2ALDH1A1KDM4ETDP1
SCHEMBL27000247 0.76 PDK1 (0.54) PDK1ALDH1A1GAACYP2C19
SCHEMBL4137922 0.76 PDK1 (0.66) PDK1SMN1; SMN2
SCHEMBL3516619 0.76 PDK1 (0.66) PDK1SMN1; SMN2
SCHEMBL27669802 0.76 PDK1 (0.66) PDK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873291-B2 Quinoline cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2024-01-16 — — US disclosed
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2023-11-09 — — US disclosed
EP-1778652-A2 COMPOSITIONS AND METHODS COMPRISING PROTEINASE ACTIVATED RECEPTOR ANTAGONISTS EntreMed, Inc. (US) 2007-05-02 — — EP disclosed
US-20060063930-A1 Compositions and methods comprising proteinase activated receptor antagonists ENTREMED, INC. 2006-03-23 — — US disclosed
WO-2006023844-A2 COMPOSITIONS AND METHODS COMPRISING PROTEINASE ACTIVATED RECEPTOR ANTAGONISTS ENTREMED, INC. (US) 2006-03-02 — — 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 (3 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-11873291-B2 Quinoline cGAS antagonist compounds CGAS, GLS2, GLS PDK1 1969/4885SMN1; SMN2 2633/4885POLB 578/4885
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS CGAS, GLS2, GLS PDK1 1969/4885SMN1; SMN2 2633/4885POLB 578/4885
US-20060063930-A1 Compositions and methods comprising proteinase activated receptor antagonists F2RL1, PLAUR, F2R PDK1 4186/4885SMN1; SMN2 4534/4885POLB 3142/4885

“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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