SCHEMBL22030342

SCHEMBL22030342

CC(C)(C)C(=O)CCCCCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 12/20 0.67
CA2 P00918 12/20 0.67
CA9 Q16790 12/20 0.67
CA12 O43570 6/20 0.67
CA14 Q9ULX7 2/20 0.65
CA7 P43166 1/20 0.65
FKBP1A P62942 2/20 0.60
ADORA3 P0DMS8 3/20 0.58
ADORA2A P29274 3/20 0.58
ADORA1 P30542 1/20 0.58
HTR3A P46098 2/20 0.56

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
SCHEMBL24444501 0.91 CA9 (0.72) CA1CA2CA9CA12CA14
SCHEMBL13815114 0.90 CA1 (0.71) CA1CA2CA9CA12CA14
SCHEMBL12678101 0.89 CA9 (0.72) CA1CA2CA9CA12CA14
SCHEMBL13219607 0.89 CA1 (0.72) CA1CA2CA9CA12CA14
SCHEMBL13915130 0.88 CA9 (0.73) CA1CA2CA9CA12CA14
SCHEMBL19426705 0.88 CA9 (0.71) CA1CA2CA9CA12CA14
SCHEMBL24817798 0.88 CA1 (0.65) CA1CA2CA9CA12CA14
SCHEMBL14642801 0.87 CA1 (0.67) CA1CA2CA9CA12CA14
SCHEMBL12185092 0.87 CA9 (0.73) CA1CA2CA9CA12CA14
SCHEMBL1638181 0.86 CA1 (0.75) CA1CA2CA9CA12CA14

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-20230263886-A1 VACCINES, VACCINE PRIMING, AND ANTIGEN DOSE SPARING ADJUVANCE TECHNOLOGIES, INC. 2023-08-24 US disclosed
US-20230128815-A1 ADJUVANT COMPOUNDS, SALT FORMS, AND FORMULATIONS ADJUVANCE TECH INC (US) 2023-04-27 US disclosed
US-20210299237-A1 TRITERPENE SAPONIN SYNTHESIS, INTERMEDIATES AND ADJUVANT COMBINATIONS ADJUVANCE TECHNOLOGIES, INC. (US) 2021-09-30 US disclosed
US-20210283248-A1 TRITERPENE SAPONIN ANALOGUES ADJUVANCE TECHNOLOGIES, INC. (US) 2021-09-16 US disclosed
US-20200164065-A1 TRITERPENE SAPONIN ANALOGUES ADJUVANCE TECHNOLOGIES, INC. (US) 2020-05-28 US 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 (5 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-20210299237-A1 TRITERPENE SAPONIN SYNTHESIS, INTERMEDIATES AND ADJUVANT COMBINATIONS SQLE, LSS, MYD88 CA1 2866/4885CA2 3185/4885CA9 3528/4885
US-20230128815-A1 ADJUVANT COMPOUNDS, SALT FORMS, AND FORMULATIONS MYD88, TLR7, NFATC1 CA1 1273/4885CA2 484/4885CA9 1513/4885
US-20210283248-A1 TRITERPENE SAPONIN ANALOGUES LSS, NFATC1, PGGT1B CA1 2984/4885CA2 2862/4885CA9 3154/4885
US-20200164065-A1 TRITERPENE SAPONIN ANALOGUES LSS, NFATC1, PGGT1B CA1 2984/4885CA2 2862/4885CA9 3154/4885
US-20230263886-A1 VACCINES, VACCINE PRIMING, AND ANTIGEN DOSE SPARING MYD88, CD14, DDOST CA1 1363/4885CA2 1525/4885CA9 2498/4885

“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.