SCHEMBL26084225

SCHEMBL26084225

CCCCOCCCNC(=O)CCOCCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 9/20 0.68
▸ CA2 P00918 9/20 0.68
▸ CA9 Q16790 9/20 0.68
▸ CA12 O43570 6/20 0.68
▸ FKBP1A P62942 3/20 0.60
▸ CA14 Q9ULX7 2/20 0.60
▸ CA7 P43166 1/20 0.60
▸ HTR3A P46098 4/20 0.57
▸ ADORA3 P0DMS8 1/20 0.56
▸ ADORA2A P29274 1/20 0.56
▸ PTGER3 P43115 1/20 0.56
▸ ESR1 P03372 1/20 0.53

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
SCHEMBL16525362 0.93 CA1 (0.64) CA1CA2CA9CA12FKBP1A
SCHEMBL14754541 0.91 CA1 (0.67) CA1CA2CA9CA12FKBP1A
SCHEMBL19455756 0.90 CA1 (0.64) CA1CA2CA9CA12FKBP1A
SCHEMBL17245254 0.90 CA1 (0.64) CA1CA2CA9CA12FKBP1A
SCHEMBL22855043 0.89 CA1 (0.70) CA1CA2CA9CA12FKBP1A
SCHEMBL19426705 0.89 CA9 (0.71) CA1CA2CA9CA12FKBP1A
SCHEMBL23027406 0.88 CA1 (0.68) CA1CA2CA9CA12FKBP1A
SCHEMBL21183301 0.88 CA1 (0.70) CA1CA2CA9CA12FKBP1A
SCHEMBL21282083 0.88 CA1 (0.70) CA1CA2CA9CA12FKBP1A
SCHEMBL17245251 0.88 CA1 (0.70) CA1CA2CA9CA12FKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11779602-B2 Methods of use for CAR T cells ENDOCYTE, INC. (US) 2023-10-10 — — 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 (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-11779602-B2 Methods of use for CAR T cells CD47, CD4, CD2 CA1 829/4885CA2 2378/4885CA9 499/4885

“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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