SCHEMBL6539780

SCHEMBL6539780

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 1/20 0.46
PPARG P37231 8/20 0.45
PTGES O14684 1/20 0.45
ALOX5 P09917 1/20 0.45
PPARA Q07869 5/20 0.44
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CNR2 P34972 1/20 0.38
UBLCP1 Q8WVY7 1/20 0.38
MAPT P10636 1/20 0.37
PTPN1 P18031 1/20 0.37
ALDH2 P05091 1/20 0.37

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
SCHEMBL6539317 0.90 PPARG (0.54) CTRCPPARGPTGESALOX5PPARA
SCHEMBL30639267 0.86 CTRC (0.54) CTRCPPARGPTGESALOX5PPARA
SCHEMBL6538619 0.84 SMN1; SMN2 (0.45) PPARGPPARAKMT2AMAPT
SCHEMBL6258626 0.84 PPARG (0.48) CTRCPPARGPTGESALOX5PPARA
SCHEMBL21253070 0.82 CTRC (0.48) CTRCPPARGPTGESALOX5PPARA
SCHEMBL2517738 0.81 KDM4E (0.57) CTRCPPARGPTGESALOX5PPARA
SCHEMBL568454 0.81 CTRC (0.50) CTRCPPARGPTGESALOX5PPARA
SCHEMBL568643 0.81 CTRC (0.50) CTRCPPARGPTGESALOX5PPARA
SCHEMBL14565994 0.81 CTRC (0.50) CTRCPPARGPTGESALOX5PPARA
SCHEMBL11521450 0.81 KMT2A (0.53) CTRCPPARGPTGESALOX5PPARA

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 CTRC 2895/4885PPARG 932/4885PTGES 2533/4885

“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.