SCHEMBL6538907

SCHEMBL6538907

CCOC(=O)CCN(CCCO)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.46
CYP1A2 P05177 2/20 0.38
HDAC6 Q9UBN7 2/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
CYP4F2 P78329 6/20 0.36
CYP4A11 Q02928 6/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 2/20 0.34
ALOX5 P09917 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
SSTR4 P31391 1/20 0.33
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL1272960 0.92 CA14 (0.49) CA14CYP1A2HDAC6HDAC1HDAC2
SCHEMBL29285429 0.88 CA14 (0.47) CA14CYP1A2HDAC6HDAC1HDAC2
SCHEMBL7106444 0.87 CA14 (0.42) CA14CYP1A2HDAC6HDAC1HDAC2
SCHEMBL2217787 0.87 CA14 (0.43) CA14CYP1A2HDAC6HDAC1HDAC2
SCHEMBL20045144 0.86 CA14 (0.39) CA14CYP1A2HDAC6HDAC1HDAC2
SCHEMBL14157489 0.84 CA14 (0.58) CA14HDAC6HDAC1HDAC2CYP4F2
SCHEMBL6538656 0.83 CA14 (0.39) CA14CYP1A2HDAC6HDAC1HDAC2
SCHEMBL15312506 0.83 SMN1; SMN2 (0.38) CA14CYP1A2HDAC6HDAC1HDAC2
SCHEMBL19929679 0.81 CA14 (0.53) CA14HDAC6HDAC1HDAC2CYP4F2
SCHEMBL27252832 0.81 CA14 (0.55) CA14HDAC6HDAC1HDAC2CYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025106939-A1 CONJUGATES TARGETING FIBROBLAST ACTIVATION PROTEIN AND USES THEREOF Praxis Biotech LLC (US) 2025-05-22 WO disclosed
US-6812235-B2 2-ACYLAMINO- BETA -ALANINE DERIVATIVES AND A PHARMACEUTICALLY ACCEPTABLE SALT, USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-02 US disclosed
US-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ASTELLAS PHARMA INC. (JP) 2003-01-23 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-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ARRB1, ADRB1, GLRB CA14 1446/4885CYP1A2 600/4885HDAC6 3137/4885

“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.