SCHEMBL434817

SCHEMBL434817

CCOC(=O)c1cocc1-c1ccc(N)c(C(=O)OC)c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
HSD17B10 Q99714 4/20 0.43
KDM4E B2RXH2 4/20 0.39
TSHR P16473 3/20 0.38
GAA P10253 3/20 0.36
MAPK1 P28482 2/20 0.36
CDC25B P30305 2/20 0.36
MAPT P10636 6/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAOA P21397 1/20 0.35
HPGD P15428 2/20 0.35
ALOX15 P16050 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL27936575 0.85 ALDH1A1 (0.36) ALDH1A1HSD17B10KDM4ETSHRGAA
SCHEMBL434772 0.78 KDM4E (0.40) ALDH1A1HSD17B10KDM4ETSHRGAA
SCHEMBL28737064 0.73 TSHR (0.52) ALDH1A1HSD17B10KDM4ETSHRGAA
SCHEMBL24718232 0.72 ALDH1A1 (0.53) ALDH1A1HSD17B10KDM4ETSHRGAA
SCHEMBL2036542 0.70 TSHR (0.59) ALDH1A1HSD17B10KDM4ETSHRGAA
SCHEMBL4652490 0.69 TSHR (0.56) ALDH1A1HSD17B10KDM4ETSHRGAA
SCHEMBL31567944 0.68 PPARG (0.47) ALDH1A1HSD17B10KDM4ETSHRGAA
SCHEMBL27918038 0.67 ALDH1A1 (0.35) ALDH1A1HSD17B10KDM4ETSHRGAA
SCHEMBL17978356 0.67 NR4A2 (0.40) ALDH1A1HSD17B10KDM4ETSHRMAPT
SCHEMBL27424971 0.67 HSD17B10 (0.62) ALDH1A1HSD17B10KDM4ETSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9839623-B2 Tricyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2017-12-12 US disclosed
US-20160354338-A1 TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2016-12-08 US disclosed
US-9266896-B2 Tricyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2016-02-23 US disclosed
EP-2595988-B1 TRICYCLIC COMPOUNDS AND METHDS OF MAKING AND USING SAME ZAFGEN INC (US) 2014-12-17 EP disclosed
EP-2595988-A1 TRICYCLIC COMPOUNDS AND METHDS OF MAKING AND USING SAME Zafgen, Inc. (US) 2013-05-29 EP disclosed
US-20130123235-A1 Tricyclic Compounds and Methods of Making and Using Same ZAFGEN, INC. 2013-05-16 US disclosed
WO-2012012642-A1 TRICYCLIC COMPOUNDS AND METHDS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2012-01-26 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-20130123235-A1 Tricyclic Compounds and Methods of Making and Using Same CES2, DNPEP, METAP2 ALDH1A1 855/4885HSD17B10 328/4885KDM4E 1272/4885
US-20160354338-A1 TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME CES2, DNPEP, METAP2 ALDH1A1 855/4885HSD17B10 328/4885KDM4E 1272/4885

“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.