SCHEMBL433249

SCHEMBL433249

CC(C)(C)OC(=O)c1c(CS(=O)(=O)c2ccccc2)ccc(Br)c1NC(=O)CO

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.37
ELANE P08246 1/20 0.36
POLB P06746 2/20 0.35
HSD11B1 P28845 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
THRB P10828 1/20 0.34
PAX8 Q06710 1/20 0.34
STAT3 P40763 1/20 0.34
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
F2 P00734 2/20 0.33
TMPRSS6 Q8IU80 1/20 0.33
KMT2A Q03164 2/20 0.32

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
SCHEMBL28063080 0.90 ALDH1A1 (0.36) MMP13POLBHSD11B1MMP1MMP2
SCHEMBL435600 0.85 HDAC3 (0.39) MMP13POLBMMP1MMP2THRB
SCHEMBL438398 0.82 ELANE (0.40) MMP13ELANEHSD11B1CA12CA9
SCHEMBL435117 0.76 ELANE (0.36) MMP13ELANEHSD11B1MMP1MMP2
SCHEMBL434726 0.71 POLB (0.41) POLBHSD11B1MMP2CA12CA9
SCHEMBL27936479 0.71 ALDH1A1 (0.30)
SCHEMBL435766 0.70 ALDH1A1 (0.44) POLBHSD11B1MMP2KMT2A
SCHEMBL27936360 0.67 MTNR1A (0.39) MMP13ELANEPOLBHSD11B1KMT2A
SCHEMBL1648084 0.67 ALDH1A1 (0.43) HSD11B1KMT2A
SCHEMBL1649989 0.67 MAPK1 (0.52) POLBHSD11B1CA12CA9KMT2A

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 13 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-9839623-B2 Tricyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2017-12-12 US disclosed
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-20160354338-A1 TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2016-12-08 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
US-20130123235-A1 Tricyclic Compounds and Methods of Making and Using Same ZAFGEN, INC. 2013-05-16 US 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 MMP13 154/4885ELANE 243/4885POLB 2068/4885
US-20160354338-A1 TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME CES2, DNPEP, METAP2 MMP13 154/4885ELANE 243/4885POLB 2068/4885

“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.