SCHEMBL23322296

SCHEMBL23322296

CCC(CC)OC1C(C(=O)NCc2ccc(-c3nnc(C)nn3)cc2)OC(OC2C(O)C(CO)OC(C(CC)CC)C2NC(C)=O)C(O)C1O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 6/20 0.37
▸ LGALS7; LGALS7B P47929 3/20 0.37
▸ LGALS9 O00182 3/20 0.37
▸ LGALS1 P09382 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ THRB P10828 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ CA14 Q9ULX7 2/20 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
SCHEMBL24478860 0.83 LGALS3 (0.38) LGALS3LGALS7; LGALS7BLGALS9LGALS1ALDH1A1
SCHEMBL25963114 0.83 LGALS3 (0.38) LGALS3LGALS7; LGALS7BLGALS9LGALS1ALDH1A1
SCHEMBL25970268 0.83 LGALS3 (0.38) LGALS3LGALS7; LGALS7BLGALS9LGALS1ALDH1A1
SCHEMBL24635181 0.81 LGALS3 (0.42) LGALS3LGALS7; LGALS7BLGALS9LGALS1CA12
SCHEMBL19749908 0.79 ALDH1A1 (0.44) LGALS3ALDH1A1THRBSMN1; SMN2
SCHEMBL20662400 0.79 ALDH1A1 (0.44) LGALS3ALDH1A1THRBSMN1; SMN2
SCHEMBL25970258 0.78 LGALS3 (0.42) LGALS3LGALS7; LGALS7BLGALS9LGALS1CA12
SCHEMBL24478861 0.77 LGALS3 (0.38) LGALS3LGALS7; LGALS7BLGALS9LGALS1ALDH1A1
SCHEMBL23805518 0.76 ALDH1A1 (0.39) LGALS3LGALS7; LGALS7BLGALS9LGALS1ALDH1A1
SCHEMBL24478872 0.76 LGALS3 (0.38) LGALS3LGALS7; LGALS7BLGALS9LGALS1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11253600-B2 Bioorthogonal compositions TAMBO, INC. (US) 2022-02-22 — — US disclosed
US-20210128733-A1 BIOORTHOGONAL COMPOSITIONS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK 2021-05-06 — — 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 (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-20210128733-A1 BIOORTHOGONAL COMPOSITIONS TIE1, BBOX1, ST14 LGALS3 466/4885LGALS7; LGALS7B 303/4885LGALS9 980/4885
US-11253600-B2 Bioorthogonal compositions TIE1, BBOX1, ST14 LGALS3 466/4885LGALS7; LGALS7B 303/4885LGALS9 980/4885

“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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