SCHEMBL3493151

SCHEMBL3493151

COc1ccc(CCC(=O)O)cc1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.59
S1PR5 Q9H228 3/20 0.59
PPARA Q07869 3/20 0.58
FFAR4 Q5NUL3 9/20 0.57
FFAR1 O14842 6/20 0.57
FFAR2 O15552 1/20 0.57
PPARD Q03181 1/20 0.57
PPARG P37231 1/20 0.50
RXRA P19793 2/20 0.47
RXRB P28702 2/20 0.47
RXRG P48443 2/20 0.47
S1PR3 Q99500 2/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.46

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
SCHEMBL28457278 0.88 PPARA (0.55) S1PR1S1PR5PPARAFFAR4FFAR1
SCHEMBL7792665 0.87 FFAR1 (0.51) S1PR1S1PR5PPARAFFAR4FFAR1
SCHEMBL2127169 0.85 GAA (0.62) RXRARXRBRXRGPTGDR2
SCHEMBL3490898 0.83 GAA (0.50) S1PR1S1PR5PPARAPPARD
SCHEMBL7794917 0.83 FFAR1 (0.48) S1PR1S1PR5PPARAFFAR4FFAR1
SCHEMBL7792671 0.82 FFAR1 (0.47) S1PR1S1PR5PPARAFFAR4FFAR1
SCHEMBL347209 0.81 FFAR4 (0.61) FFAR4FFAR1
SCHEMBL13665426 0.80 S1PR1 (0.65) S1PR1S1PR5FFAR4FFAR1FFAR2
SCHEMBL22630207 0.80 FFAR1 (0.56) S1PR1S1PR5FFAR4FFAR1FFAR2
SCHEMBL585819 0.80 FFAR4 (0.60) PPARAFFAR4FFAR1FFAR2PPARD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492378-B2 GSK-3β inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-23 US disclosed
US-20100069381-A1 GSK-3BETAINHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 US 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-20100069381-A1 GSK-3BETAINHIBITOR GSK3B, GSK3A, GSKIP S1PR1 1700/4885S1PR5 2181/4885PPARA 2987/4885

“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.