SCHEMBL25019697

SCHEMBL25019697

CC(C)CN(C)C(=O)OCOP(=O)(O)O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
PGK1 P00558 1/20 0.32
PGK2 P07205 1/20 0.32
MVD P53602 1/20 0.31
PGD P52209 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
SCHEMBL25788481 0.87 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4PGK1
SCHEMBL25021047 0.80 LPAR3 (0.34) CHRNB2CHRNA4PGK1PGK2MVD
SCHEMBL25762158 0.79 MVD (0.35) CA12CA1CA2CA9PGK1
SCHEMBL25657183 0.77 LPAR3 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4MVD
SCHEMBL23125478 0.77 CHRNB2 (0.34) CA12CA1CA2CA9CHRNB2
SCHEMBL25762731 0.76 KDM4C (0.34) CA12CA1CA2CA9PGK1
SCHEMBL38659094 0.76 TPI1 (0.32) CHRNB2CHRNB4CHRNA3CHRNA4MVD
SCHEMBL25787110 0.76 CHRNB2 (0.39) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12516496 0.74 ALDH1A1 (0.39) CA12CA1CA2CA9CHRNB2
SCHEMBL6440136 0.74 TSHR (0.42) CA12CA1CA2CA9CHRNB2

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-20230151024-A1 STING AGONISTIC COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2023-05-18 US disclosed
US-20230151024-A1 STING AGONISTIC COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2023-05-18 US disclosed
US-20230141284-A1 CANCER THERAPEUTIC METHOD ONO PHARMACEUTICAL CO., LTD. (JP) 2023-05-11 US disclosed
US-20230141284-A1 CANCER THERAPEUTIC METHOD ONO PHARMACEUTICAL CO., LTD. (JP) 2023-05-11 US disclosed
EP-4134134-A1 STING AGONISTIC COMPOUND ONO Pharmaceutical Co., Ltd. (JP) 2023-02-15 EP 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-20230141284-A1 CANCER THERAPEUTIC METHOD STING1, CGAS, IFNAR1 CA12 3162/4885CA1 4596/4885CA2 3284/4885
US-20230151024-A1 STING AGONISTIC COMPOUND STING1, CGAS, TLR1 CA12 4633/4885CA1 4533/4885CA2 3362/4885

“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.