SCHEMBL3967976

SCHEMBL3967976

COCCOc1ccc(CCC(=O)O)cc1F

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 8/20 0.51
FFAR1 O14842 7/20 0.51
PPARG P37231 2/20 0.45
PPARA Q07869 3/20 0.45
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
FFAR2 O15552 1/20 0.44
PPARD Q03181 1/20 0.44
RXRG P48443 1/20 0.44

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
SCHEMBL3974023 0.87 FFAR4 (0.51) FFAR4FFAR1PPARGPPARALMNA
SCHEMBL6063728 0.85 FFAR1 (0.58) FFAR4FFAR1PPARAPPARD
SCHEMBL21359040 0.84 FFAR4 (0.51) FFAR4FFAR1PPARGPPARALMNA
SCHEMBL585819 0.84 FFAR4 (0.60) FFAR4FFAR1PPARALMNAFFAR2
Malonic Acid SCHEMBL8557894 0.80 FFAR1 (0.56) FFAR4FFAR1PPARALMNAFFAR2
SCHEMBL2347255 0.79 FFAR1 (0.59) FFAR4FFAR1PPARGPPARAFFAR2
SCHEMBL21314096 0.79 FFAR4 (0.49) FFAR4FFAR1PPARAFFAR2PPARD
SCHEMBL25545963 0.78 PDE4A (0.54) LMNA
SCHEMBL20704769 0.78 FFAR4 (0.48) FFAR4FFAR1RXRG
SCHEMBL13185197 0.77 S1PR2 (0.42) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572809-B2 Isoquinoline aminopyrazole derivatives HOFFMANN-LA ROCHE INC. (US) 2009-08-11 US disclosed
US-7572809-B2 Isoquinoline aminopyrazole derivatives HOFFMANN-LA ROCHE INC. (US) 2009-08-11 US disclosed
US-7572809-B2 Isoquinoline aminopyrazole derivatives HOFFMANN-LA ROCHE INC. (US) 2009-08-11 US disclosed
EP-1966190-A1 ISOQUINOLINE AMINOPYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS FOR THE TREATMENT OF CANCER F.HOFFMANN-LA ROCHE AG (CH) 2008-09-10 EP disclosed
US-20070179151-A1 Isoquinoline aminopyrazole derivatives F. HOFMANN-LA ROCHE AG (CH) 2007-08-02 US disclosed
US-20070179151-A1 Isoquinoline aminopyrazole derivatives F. HOFMANN-LA ROCHE AG (CH) 2007-08-02 US disclosed
US-20070179151-A1 Isoquinoline aminopyrazole derivatives F. HOFMANN-LA ROCHE AG (CH) 2007-08-02 US disclosed
WO-2007071348-A1 ISOQUINOLINE AMINOPYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2007-06-28 WO disclosed
WO-2007071348-A1 ISOQUINOLINE AMINOPYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2007-06-28 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-20070179151-A1 Isoquinoline aminopyrazole derivatives CYP3A5, CYP3A43, CYP3A4 FFAR4 2816/4885FFAR1 3038/4885PPARG 933/4885

“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.