SCHEMBL6539103

SCHEMBL6539103

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

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.55
GPR84 Q9NQS5 7/20 0.52
FFAR1 O14842 2/20 0.52
LCK P06239 1/20 0.50
PPARD Q03181 1/20 0.50
ZDHHC20 Q5W0Z9 1/20 0.50
ZDHHC2 Q9UIJ5 1/20 0.50
ACE2 Q9BYF1 1/20 0.47
GRIK1 P39086 2/20 0.44
GRIK2 Q13002 2/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
CA2 P00918 1/20 0.43
MAPK1 P28482 1/20 0.43
FFAR4 Q5NUL3 1/20 0.42
CA1 P00915 1/20 0.42

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
SCHEMBL970515 0.98 MAPT (0.59) MAPTGPR84FFAR1LCKPPARD
SCHEMBL4002470 0.98 MAPT (0.59) MAPTGPR84FFAR1LCKPPARD
SCHEMBL7207894 0.98 MAPT (0.59) MAPTGPR84FFAR1LCKPPARD
SCHEMBL10923278 0.98 MAPT (0.59) MAPTGPR84FFAR1LCKPPARD
SCHEMBL527476 0.98 MAPT (0.59) MAPTGPR84FFAR1LCKPPARD
SCHEMBL1401236 0.93 CA2 (0.50) MAPTGPR84FFAR1LCKPPARD
SCHEMBL3127134 0.84
SCHEMBL11331363 0.83 MAPT (0.45) MAPTGPR84FFAR1LCKPPARD
SCHEMBL23829652 0.81 GPR84 (0.50) MAPTGPR84FFAR1LCKPPARD
SCHEMBL8010780 0.81 CA1 (0.45) MAPTGPR84FFAR1LCKPPARD

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 5 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
US-6458924-B2 POLYPEPTIDE DRUG; ANTIDIABETIC AGENT; Liraglutide NOVO NORDISK A/S (DK) 2002-10-01 US 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 MAPT 2594/4885GPR84 184/4885FFAR1 102/4885

“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.