SCHEMBL4312014

SCHEMBL4312014

COC(=O)c1ccc(CC(=O)OC(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPK1 P28482 2/20 0.51
CYP4A11 Q02928 3/20 0.49
CYP4F2 P78329 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
MAPT P10636 2/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
TSHR P16473 3/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL16346002 0.85 TSHR (0.62) LOXL2MEN1KMT2AMAPK1CYP4A11
SCHEMBL1198228 0.83 LOXL2 (0.63) LOXL2MEN1KMT2AMAPK1CYP4A11
SCHEMBL1811745 0.78 LOXL2 (0.61) LOXL2MEN1KMT2AMAPK1CYP4A11
SCHEMBL20259350 0.77 LOXL2 (0.66) LOXL2MEN1KMT2AMAPK1CYP4A11
SCHEMBL28902573 0.77 LOXL2 (0.56) LOXL2MEN1KMT2AMAPK1CYP4A11
SCHEMBL28312233 0.77 LOXL2 (0.56) LOXL2MEN1KMT2AMAPK1CYP4A11
SCHEMBL14332763 0.75 TSHR (0.67) MEN1KMT2AMAPK1TSHRALDH1A1
SCHEMBL211335 0.75 LOXL2 (0.63) LOXL2MEN1KMT2AMAPK1CYP4A11
SCHEMBL7151482 0.75 LOXL2 (0.63) LOXL2MEN1KMT2AMAPK1CYP4A11
SCHEMBL3622207 0.75 LOXL2 (0.64) LOXL2MEN1KMT2AMAPK1CYP4A11

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
US-20090012075-A1 Fluorinated Arylamide Derivatives MERCK SHARP & DOHME CORP. 2009-01-08 US disclosed
EP-1976511-A2 FLUORINATED ARYLAMIDE DERIVATIVES Merck & Co., Inc. (US) 2008-10-08 EP disclosed
WO-2007087129-A2 FLUORINATED ARYLAMIDE DERIVATIVES MERCK & CO., INC. (US) 2007-08-02 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-20090012075-A1 Fluorinated Arylamide Derivatives HDAC5, AADAC, HDAC6 LOXL2 1529/4885MEN1 2902/4885KMT2A 27/4885

“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.