SCHEMBL436640

SCHEMBL436640

COC(=O)c1c(N)ccc(-c2ccoc2C=O)c1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CFTR P13569 3/20 0.33
TSHR P16473 4/20 0.33
ALDH1A1 P00352 9/20 0.32
HSD17B10 Q99714 5/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
HPGD P15428 4/20 0.32
PRKCZ Q05513 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 4/20 0.31
MAPT P10636 3/20 0.31
GAA P10253 3/20 0.31

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
SCHEMBL434818 0.86 KDM4E (0.35) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL435767 0.84 PTPN1 (0.30) PTPN1
SCHEMBL435103 0.82 SMN1; SMN2 (0.37) TSHRALDH1A1HSD17B10HPGDMEN1
SCHEMBL435567 0.78 TSHR (0.36) CA12CA1CA2CA7CA9
SCHEMBL438284 0.75 POLB (0.34) TSHRALDH1A1HSD17B10HSP90AA1HPGD
SCHEMBL14936664 0.71 HSP90AA1 (0.30) CFTRHSP90AA1
SCHEMBL27918038 0.68 ALDH1A1 (0.35) CA12CA1CA2CA7CA9
SCHEMBL7228617 0.68 ALDH1A1 (0.43) CA12CA1CA2CA7CA9
SCHEMBL11403524 0.67 APP (0.36) ALDH1A1KDM4EMAPK1RAB9A
SCHEMBL436675 0.67 CA12 (0.46) CA12CA1CA2CA7CA9

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10064839-B2 Methods of treating liver diseases ZAFGEN, INC. (US) 2018-09-04 US disclosed
US-20180002307-A1 PARTIALLY SATURATED TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. 2018-01-04 US disclosed
US-20180002307-A1 PARTIALLY SATURATED TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. 2018-01-04 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-9839623-B2 Tricyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2017-12-12 US disclosed
US-20170326099-A1 METHODS OF TREATING LIVER DISEASES ZAFGEN, INC. 2017-11-16 US disclosed
US-20170326099-A1 METHODS OF TREATING LIVER DISEASES ZAFGEN, INC. 2017-11-16 US disclosed
US-20170326099-A1 METHODS OF TREATING LIVER DISEASES ZAFGEN, INC. 2017-11-16 US disclosed
US-9617237-B2 Partially saturated tricyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2017-04-11 US disclosed
EP-2705030-A1 PARTIALLY SATURATED TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC. (US) 2014-03-12 EP disclosed
CN-103249735-A Tricyclic compounds and methods of making and using the same ZAFGEN CORP 2013-08-14 CN 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-2012154676-A1 PARTIALLY SATURATED TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2012-11-15 WO disclosed
WO-2012154676-A1 PARTIALLY SATURATED TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2012-11-15 WO disclosed
WO-2012012642-A1 TRICYCLIC COMPOUNDS AND METHDS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2012-01-26 WO 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 (4 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-20170326099-A1 METHODS OF TREATING LIVER DISEASES ENPEP, GOT2, METAP2 CA12 939/4885CA1 2195/4885CA2 1088/4885
US-20130123235-A1 Tricyclic Compounds and Methods of Making and Using Same CES2, DNPEP, METAP2 CA12 523/4885CA1 948/4885CA2 386/4885
US-10064839-B2 Methods of treating liver diseases ENPEP, GOT2, METAP2 CA12 939/4885CA1 2195/4885CA2 1088/4885
US-20180002307-A1 PARTIALLY SATURATED TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME DNPEP, CES2, AADAC CA12 787/4885CA1 1161/4885CA2 678/4885

“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.