SCHEMBL6539560

SCHEMBL6539560

CCCCC([O])C(=O)NC

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 6/20 0.45
▸ CA1 P00915 4/20 0.45
▸ DPP7 Q9UHL4 4/20 0.41
▸ SLC15A1 P46059 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ ZDHHC7 Q9NXF8 1/20 0.38
▸ MMP2 P08253 5/20 0.38
▸ MMP3 P08254 5/20 0.38
▸ MMP1 P03956 3/20 0.38
▸ MMP7 P09237 1/20 0.38
▸ DPP8 Q6V1X1 3/20 0.38
▸ DPP4 P27487 2/20 0.38
▸ DPP9 Q86TI2 2/20 0.38
▸ LCK P06239 1/20 0.38
▸ PPARD Q03181 1/20 0.38
▸ ZDHHC20 Q5W0Z9 1/20 0.38
▸ ZDHHC2 Q9UIJ5 1/20 0.38

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
SCHEMBL6538851 0.93 ZDHHC7 (0.46) CA1ZDHHC7MMP2MMP3MMP1
SCHEMBL6539421 0.86 — —
SCHEMBL6860777 0.80 ZDHHC7 (0.50) CA2CA1DPP7SLC15A1MAPK1
SCHEMBL25090841 0.79 CA2 (0.57) CA2CA1MAPK1MMP2MMP3
SCHEMBL23449935 0.77 CA1 (0.48) CA2CA1DPP7SLC15A1MAPK1
SCHEMBL10211776 0.77 CA1 (0.48) CA2CA1DPP7SLC15A1MAPK1
SCHEMBL3248464 0.76 DPP7 (0.63) CA2CA1DPP7SLC15A1DPP8
SCHEMBL22276923 0.76 CA2 (0.44) CA2CA1DPP7SLC15A1MAPK1
SCHEMBL2106254 0.76 CA2 (0.70) CA2CA1MAPK1MMP2MMP3
SCHEMBL5326388 0.76 CA2 (0.70) CA2CA1MAPK1MMP2MMP3

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 CA2 987/4885CA1 662/4885DPP7 976/4885

“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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