SCHEMBL2599795

SCHEMBL2599795

CC(C)Oc1ccc(-c2ccc(F)c(F)c2)c(C=O)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 15/20 0.47
ERN1 O75460 2/20 0.43
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
ALDH1A3 P47895 1/20 0.41
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40

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
SCHEMBL2599711 0.83 ALDH1A3 (0.44) FFAR4ERN1ALDH1A3
SCHEMBL6928613 0.82 ALDH1A3 (0.52) FFAR4ERN1ALDH1A3
SCHEMBL14689988 0.82 ALDH1A3 (0.42) FFAR4ERN1ALDH1A3
SCHEMBL14690141 0.81 FFAR4 (0.44) FFAR4ERN1ALOX5APFEN1
SCHEMBL14285929 0.76 ALDH1A3 (0.52) FFAR4ERN1ALDH1A3
SCHEMBL1020456 0.75 ALDH1A1 (0.47) FFAR4ALDH1A3
SCHEMBL30829775 0.75 ALDH1A1 (0.47) FFAR4ALDH1A3
SCHEMBL24530453 0.73 ALDH1A3 (0.57) ERN1ALDH1A3
SCHEMBL16616210 0.71 FFAR4 (0.43) FFAR4ERN1AKR1C3AKR1C2ALOX5AP
SCHEMBL6930848 0.71 ALDH1A3 (0.53) FFAR4ERN1ALDH1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571356-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2013-03-27 EP disclosed
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP 2013-02-14 US disclosed
WO-2011146324-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2011-11-24 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-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS SSTR5, SSTR2, SSTR1 FFAR4 122/4885ERN1 2810/4885AKR1C3 747/4885

“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.