SCHEMBL6539317

SCHEMBL6539317

CCCC(Oc1ccccc1[C]=O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.54
PPARA Q07869 12/20 0.54
PTGDR2 Q9Y5Y4 1/20 0.43
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
KMT2A Q03164 2/20 0.36
CTRC Q99895 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
RECQL P46063 1/20 0.35
PLA2G2A P14555 1/20 0.35

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
SCHEMBL6539780 0.90 CTRC (0.46) PPARGPPARAPTGESALOX5KMT2A
SCHEMBL6538619 0.88 SMN1; SMN2 (0.45) PPARGPPARAPTGDR2KMT2A
SCHEMBL6258626 0.79 PPARG (0.48) PPARGPPARAPTGESALOX5KMT2A
SCHEMBL10877367 0.79 PPARA (0.56) PPARGPPARAPTGDR2KMT2AMEN1
SCHEMBL8082709 0.79 PPARG (0.56) PPARGPPARAPTGESALOX5KMT2A
SCHEMBL2571460 0.79 PPARG (0.56) PPARGPPARAPTGESALOX5KMT2A
SCHEMBL7507747 0.79 PPARG (0.66) PPARGPPARAPTGESALOX5
SCHEMBL6538638 0.78 SLC6A2 (0.44) KMT2AMEN1
SCHEMBL11666467 0.78 PPARA (0.58) PPARGPPARAPTGESALOX5
Hydrochloric Acid SCHEMBL8074440 0.78 PPARG (0.55) PPARGPPARAPTGESALOX5KMT2A

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 PPARG 932/4885PPARA 815/4885PTGDR2 945/4885

“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.