SCHEMBL6539052

SCHEMBL6539052

CCOC(=O)COc1ccccc1[C]=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.56
ABCB1 P08183 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 3/20 0.51
LMNA P02545 2/20 0.51
HPGD P15428 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
PTPN1 P18031 1/20 0.51
S1PR4 O95977 1/20 0.51
MAPT P10636 1/20 0.51
ITGA4 P13612 1/20 0.51
S1PR1 P21453 1/20 0.51
MAPK1 P28482 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TLR9 Q9NR96 1/20 0.51
CASP3 P42574 1/20 0.49
CASP7 P55210 1/20 0.49
CASP9 P55211 1/20 0.49
NLRP3 Q96P20 1/20 0.47

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
SCHEMBL6538608 0.88 USP2 (0.44) USP2ABCB1SMN1; SMN2ALDH1A1LMNA
SCHEMBL18702790 0.86 ALDH1A1 (0.60) USP2ABCB1SMN1; SMN2ALDH1A1LMNA
SCHEMBL6539952 0.85 ALDH1A1 (0.53) USP2ABCB1SMN1; SMN2ALDH1A1LMNA
SCHEMBL2010417 0.85 USP2 (0.67) USP2ABCB1SMN1; SMN2ALDH1A1LMNA
SCHEMBL6538778 0.84 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1LMNAHPGDNPC1
SCHEMBL11825493 0.82 GLA (0.68) USP2ABCB1SMN1; SMN2ALDH1A1LMNA
SCHEMBL1549786 0.80 USP2 (0.49) USP2ABCB1SMN1; SMN2ALDH1A1LMNA
SCHEMBL2871937 0.80 MAPT (0.62) USP2ABCB1SMN1; SMN2ALDH1A1LMNA
SCHEMBL14919231 0.80 KMT2A (0.48) SMN1; SMN2ALDH1A1HPGDNPC1RAB9A
SCHEMBL1979003 0.80 ALDH1A1 (0.39) USP2SMN1; SMN2ALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1255748-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-13 EP disclosed
WO-2001060813-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 WO 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 USP2 3099/4885ABCB1 1929/4885SMN1; SMN2 2439/4885

“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.