SCHEMBL6538619

SCHEMBL6538619

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

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
PPARA Q07869 11/20 0.43
PPARG P37231 10/20 0.43
TSHR P16473 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.38
LTB4R Q15722 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
SCHEMBL6539317 0.88 PPARG (0.54) PPARAPPARGPTGDR2KMT2A
SCHEMBL8935651 0.86 SMN1; SMN2 (0.48) SMN1; SMN2PPARAPPARGTSHR
SCHEMBL8935647 0.86 SMN1; SMN2 (0.48) SMN1; SMN2PPARAPPARGTSHR
SCHEMBL6539780 0.84 CTRC (0.46) PPARAPPARGMAPTKMT2A
SCHEMBL4650644 0.79 KMT2A (0.62) SMN1; SMN2PPARAPPARGTSHRKMT2A
SCHEMBL8935639 0.79 KMT2A (0.62) SMN1; SMN2PPARAPPARGTSHRKMT2A
SCHEMBL8935641 0.79 SMN1; SMN2 (0.57) SMN1; SMN2PPARAPPARGTSHR
SCHEMBL3879629 0.79 SMN1; SMN2 (0.57) SMN1; SMN2PPARAPPARGTSHR
SCHEMBL8935961 0.79 SMN1; SMN2 (0.49) SMN1; SMN2PPARAPPARGTSHRMAPT
SCHEMBL17633012 0.79 SMN1; SMN2 (0.49) SMN1; SMN2PPARAPPARGTSHRMAPT

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 SMN1; SMN2 2439/4885PPARA 815/4885PPARG 932/4885

“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.