SCHEMBL2599698

SCHEMBL2599698

CCOc1ccc(-c2ccc(F)cc2F)c(C=O)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.42
POLB P06746 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 2/20 0.38
CACNA1C Q13936 1/20 0.38
MAOB P27338 2/20 0.38
PTGS2 P35354 2/20 0.38
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
SSTR5 P35346 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CHRNA7 P36544 1/20 0.36
NQO1 P15559 1/20 0.36

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
SCHEMBL14690054 0.87 ERN1 (0.43) ERN1ALDH1A1HPGDMAPTPTGS2
SCHEMBL289510 0.83 CTSL (0.43) ERN1ALDH1A1HPGDMEN1KMT2A
SCHEMBL3851503 0.80 NQO1 (0.45) ERN1ALDH1A1HPGDMAPTFFAR1
SCHEMBL14690141 0.79 FFAR4 (0.44) ERN1ALDH1A1HPGDMAPTPTGS2
SCHEMBL10388263 0.78 NQO1 (0.54) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL3170130 0.77 NQO1 (0.45) ERN1ALDH1A1HPGDKMT2AMAPT
SCHEMBL16616316 0.76 LMNA (0.48) POLBALDH1A1HPGDMEN1KMT2A
SCHEMBL9228732 0.75 NQO1 (0.48) POLBALDH1A1MEN1KMT2AMAPT
SCHEMBL16616017 0.75 PIM1 (0.42) ERN1ALDH1A1HPGDMEN1KMT2A
SCHEMBL18570379 0.72 CACNA1C (0.50) ERN1ALDH1A1MEN1KMT2AMAPT

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 ERN1 2810/4885POLB 3584/4885ALDH1A1 1103/4885

“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.