SCHEMBL435682

SCHEMBL435682

COC(=O)C1C(=O)C=CCC1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
OPRD1 P41143 3/20 0.43
DNTT P04053 2/20 0.41
CYP1A2 P05177 1/20 0.37
HIF1A Q16665 1/20 0.37
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.33
POLA1 P09884 1/20 0.33
RECQL P46063 1/20 0.33
PSEN1 P49768 3/20 0.33
PSEN2 P49810 3/20 0.33
APH1B Q8WW43 3/20 0.33
NCSTN Q92542 3/20 0.33
APH1A Q96BI3 3/20 0.33
PSENEN Q9NZ42 3/20 0.33

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
SCHEMBL7727816 0.81 ALDH1A1 (0.41) ALDH1A1OPRD1CYP1A2KDM4ETSHR
SCHEMBL6844884 0.79 OPRD1 (0.46) OPRD1PSEN1PSEN2APH1BNCSTN
SCHEMBL13911364 0.76 ALDH1A1 (0.35) ALDH1A1OPRD1DNTTCYP1A2HIF1A
SCHEMBL16191987 0.70 ALDH1A1 (0.45) ALDH1A1DNTTCYP1A2HIF1AKDM4E
SCHEMBL8907400 0.70 ALDH1A1 (0.61) ALDH1A1DNTTCYP1A2HIF1AKDM4E
SCHEMBL14725632 0.68
SCHEMBL9977742 0.67 ALDH1A1 (0.37) ALDH1A1CYP1A2KDM4ETSHRCYP3A4
SCHEMBL265471 0.67 ALDH1A1 (0.37) ALDH1A1CYP1A2KDM4ETSHRCYP3A4
SCHEMBL2918081 0.67 ALDH1A1 (0.37) ALDH1A1CYP1A2KDM4ETSHRCYP3A4
SCHEMBL29096582 0.66 LMNA (0.36) ALDH1A1DNTTCYP1A2HIF1ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10206937-B2 Boronic acid derivatives and therapeutic uses thereof QPEX BIOPHARMA, INC. (US) 2019-02-19 US disclosed
US-9839623-B2 Tricyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2017-12-12 US disclosed
US-20170136047-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF REMPEX PHARMACEUTICALS, INC. (US) 2017-05-18 US disclosed
US-20170136047-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF REMPEX PHARMACEUTICALS, INC. (US) 2017-05-18 US disclosed
EP-2486004-B1 SULPHONE COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY ZAFGEN INC (US) 2017-05-03 EP disclosed
US-20160354338-A1 TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2016-12-08 US disclosed
US-20160051531-A1 SULPHONE COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2016-02-25 US disclosed
US-9266896-B2 Tricyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2016-02-23 US disclosed
WO-2016003929-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF REMPEX PHARMACEUTICALS, INC. (US) 2016-01-07 WO disclosed
US-9067905-B2 Sulphone compounds and methods of making and using same ZAFGEN, INC. (US) 2015-06-30 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-20130053364-A1 Sulphone Compounds and Methods of Making and Using Same ZAFGEN, INC. 2013-02-28 US disclosed
EP-2486004-A2 SULPHONE COMPOUNDS AND METHODS OF MAKING AND USING SAME Zafgen Corporation (US) 2012-08-15 EP disclosed
WO-2012012642-A1 TRICYCLIC COMPOUNDS AND METHDS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2012-01-26 WO disclosed
WO-2011044506-A2 SULPHONE COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2011-04-14 WO disclosed
US-5616615-A ANTICONVULSANTS HOWARD UNIVERSITY (US) 1997-04-01 US disclosed
US-5468775-A Anticonvulsants HOWARD UNIVERSITY (US) 1995-11-21 US disclosed
WO-1993017678-A1 ENAMINONE ESTERS HOWARD UNIVERSITY (US) 1993-09-16 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 (6 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-20160051531-A1 SULPHONE COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, DNPEP, STS ALDH1A1 360/4885OPRD1 2455/4885DNTT 1394/4885
US-20130123235-A1 Tricyclic Compounds and Methods of Making and Using Same CES2, DNPEP, METAP2 ALDH1A1 855/4885OPRD1 1677/4885DNTT 788/4885
US-20160354338-A1 TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME CES2, DNPEP, METAP2 ALDH1A1 855/4885OPRD1 1677/4885DNTT 788/4885
US-10206937-B2 Boronic acid derivatives and therapeutic uses thereof BCL6B, BTD, BCL6 ALDH1A1 1999/4885OPRD1 3199/4885DNTT 1841/4885
US-20170136047-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF BCL6B, BTD, BCL6 ALDH1A1 1999/4885OPRD1 3199/4885DNTT 1841/4885
US-20130053364-A1 Sulphone Compounds and Methods of Making and Using Same METAP2, DNPEP, STS ALDH1A1 360/4885OPRD1 2455/4885DNTT 1394/4885

“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.