SCHEMBL3464574

SCHEMBL3464574

CCOC(=O)C=CCCCNC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
CA12 O43570 4/20 0.45
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA9 Q16790 4/20 0.45
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
HCAR2 Q8TDS4 1/20 0.38
TSHR P16473 1/20 0.37
EPHX1 P07099 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
SCHEMBL3464573 1.00 MAPT (0.53) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL13504656 0.88 TDP1 (0.54) TDP1MEN1KMT2AGAACA12
SCHEMBL28922732 0.87 TDP1 (0.53) TDP1MEN1KMT2AGAACA12
SCHEMBL18355345 0.84 CA12 (0.52) MAPTTDP1MEN1KMT2AGAA
SCHEMBL30324855 0.83 CA12 (0.49) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL3464768 0.82 TDP1 (0.55) TDP1MEN1KMT2AGAACA12
SCHEMBL2089332 0.82 MAPT (0.42) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL31449935 0.82 MAPT (0.42) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL5199651 0.82 MEN1 (0.55) TDP1MEN1KMT2AGAACA12
SCHEMBL1909823 0.82 MAPT (0.42) MAPTTDP1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2111391-B9 NEW UNSATURATED FATTY AMINO-ACID DERIVATIVES AND USE THEREOF IN DERMAL COSMETOLOGY FABRE PIERRE DERMO COSMETIQUE (FR) 2013-05-29 EP claimed
EP-2111391-B1 NEW UNSATURATED FATTY AMINO-ACID DERIVATIVES AND USE THEREOF IN DERMAL COSMETOLOGY FABRE PIERRE DERMO COSMETIQUE (FR) 2012-10-31 EP claimed
US-20100240754-A1 UNSATURATED FATTY AMINO ACID DERIVATIVES AND USE THEREOF IN DERMAL COSMETOLOGY Pierre Fabre Demo-Cosmetique (FR) 2010-09-23 US claimed
US-9868717-B2 Tricyclic sulphonamide compounds and methods of making and using same ZAFGEN, INC. (US) 2018-01-16 US disclosed
EP-2925737-B1 TRICYCLIC COMPOUNDS FOR USE IN THE TREATMENT AND/OR CONTROL OF OBESITY ZAFGEN INC (US) 2017-06-14 EP disclosed
US-20160083362-A1 TRICYCLIC SULPHONAMIDE COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. 2016-03-24 US disclosed
EP-2925737-A1 TRICYCLIC COMPOUNDS FOR USE IN THE TREATMENT AND/OR CONTROL OF OBESITY Zafgen, Inc. (US) 2015-10-07 EP disclosed
WO-2014071369-A1 TRICYCLIC COMPOUNDS FOR USE IN THE TREATMENT AND/OR CONTROL OF OBESITY ZAFGEN, INC. (US) 2014-05-08 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 (2 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-20160083362-A1 TRICYCLIC SULPHONAMIDE COMPOUNDS AND METHODS OF MAKING AND USING SAME DNPEP, ANPEP, METAP2 MAPT 2284/4885TDP1 1451/4885ALDH1A1 1175/4885
US-20100240754-A1 UNSATURATED FATTY AMINO ACID DERIVATIVES AND USE THEREOF IN DERMAL COSMETOLOGY FFAR3, FFAR2, BCAT1 MAPT 4864/4885TDP1 3910/4885ALDH1A1 690/4885

“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.