SCHEMBL2013303

SCHEMBL2013303

COc1cccc2[nH]cc(C[C@@H](N)C(=O)O)c12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.61
KDM4E B2RXH2 3/20 0.61
MAPT P10636 3/20 0.61
LMNA P02545 2/20 0.61
TSHR P16473 2/20 0.61
BLM P54132 2/20 0.61
PMP22 Q01453 2/20 0.61
MEN1 O00255 2/20 0.61
MPO P05164 1/20 0.61
HIF1A Q16665 1/20 0.61
HTR2A P28223 4/20 0.58
MTNR1A P48039 1/20 0.56
MTNR1B P49286 1/20 0.56
HTR6 P50406 1/20 0.52
ALDH1A1 P00352 1/20 0.51
CYP3A4 P08684 1/20 0.51
HTR1A P08908 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
ALOX15 P16050 1/20 0.51
NFKB1 P19838 1/20 0.51

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
SCHEMBL1461064 1.00 KMT2A (0.61) KMT2AKDM4EMAPTLMNATSHR
SCHEMBL18029216 1.00 KMT2A (0.61) KMT2AKDM4EMAPTLMNATSHR
SCHEMBL1461062 1.00 KMT2A (0.61) KMT2AKDM4EMAPTLMNATSHR
SCHEMBL29809866 1.00 KMT2A (0.61) KMT2AKDM4EMAPTLMNATSHR
SCHEMBL2013301 0.89 MTNR1A (0.58) KMT2AKDM4EMAPTLMNATSHR
Hydrochloric Acid SCHEMBL28174730 0.88 MTNR1A (0.57) KMT2AKDM4EMAPTLMNATSHR
Hydrochloric Acid SCHEMBL28174732 0.88 MTNR1A (0.57) KMT2AKDM4EMAPTLMNATSHR
SCHEMBL24328917 0.86 SMN1; SMN2 (0.60) KMT2AKDM4EMAPTLMNATSHR
SCHEMBL28409765 0.86 SMN1; SMN2 (0.60) KMT2AKDM4EMAPTLMNATSHR
SCHEMBL24328893 0.86 MTNR1A (0.57) KMT2AKDM4EMAPTLMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513016-B1 IMPROVED METHOD FOR PRODUCING INTERMEDIATES FOR THE PRODUCTION OF MACROCYCLES THAT ARE INHIBITORS OF THE PROTEASOMIC DEGRADATION OF P27, SUCH AS ARGYRIN AND DERIVATIVES THEREOF Helmholtz Zentrum für Infektionsforschung GmbH (DE) 2016-02-17 EP claimed
US-20120295941-A1 Method For Producing Intermediates For The Production Of Macrocycles That Are Inhibitors Of The Proteasomic Degradation of P27, Such As Argyrin And Derivatives Thereof GOTTFRIED WILHELM LEIBNIZ UNIVERSITAT (DE) 2012-11-22 US claimed
EP-2513016-A1 IMPROVED METHOD FOR PRODUCING INTERMEDIATES FOR THE PRODUCTION OF MACROCYCLES THAT ARE INHIBITORS OF THE PROTEASOMIC DEGRADATION OF P27, SUCH AS ARGYRIN AND DERIVATIVES THEREOF Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2012-10-24 EP claimed
WO-2011073173-A1 IMPROVED METHOD FOR PRODUCING INTERMEDIATES FOR THE PRODUCTION OF MACROCYCLES THAT ARE INHIBITORS OF THE PROTEASOMIC DEGRADATION OF P27, SUCH AS ARGYRIN AND DERIVATIVES THEREOF Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2011-06-23 WO claimed
EP-2513016-B1 IMPROVED METHOD FOR PRODUCING INTERMEDIATES FOR THE PRODUCTION OF MACROCYCLES THAT ARE INHIBITORS OF THE PROTEASOMIC DEGRADATION OF P27, SUCH AS ARGYRIN AND DERIVATIVES THEREOF Helmholtz Zentrum für Infektionsforschung GmbH (DE) 2016-02-17 EP disclosed
US-8853249-B2 Method for producing intermediates for the production of macrocycles that are inhibitors of the proteasomic degradation of p27, such as argyrin and derivatives thereof Helmholtz-Zentrum für Infektionsforschungs GmbH (DE) 2014-10-07 US disclosed
US-20120295941-A1 Method For Producing Intermediates For The Production Of Macrocycles That Are Inhibitors Of The Proteasomic Degradation of P27, Such As Argyrin And Derivatives Thereof GOTTFRIED WILHELM LEIBNIZ UNIVERSITAT (DE) 2012-11-22 US disclosed
EP-2513016-A1 IMPROVED METHOD FOR PRODUCING INTERMEDIATES FOR THE PRODUCTION OF MACROCYCLES THAT ARE INHIBITORS OF THE PROTEASOMIC DEGRADATION OF P27, SUCH AS ARGYRIN AND DERIVATIVES THEREOF Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2012-10-24 EP disclosed
WO-2011073173-A1 IMPROVED METHOD FOR PRODUCING INTERMEDIATES FOR THE PRODUCTION OF MACROCYCLES THAT ARE INHIBITORS OF THE PROTEASOMIC DEGRADATION OF P27, SUCH AS ARGYRIN AND DERIVATIVES THEREOF Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2011-06-23 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 (1 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-20120295941-A1 Method For Producing Intermediates For The Production Of Macrocycles That Are Inhibitors Of The Proteasomic Degradation of P27, Such As Argyrin And Derivatives Thereof SKP2, CDKN1A, MDM2 KMT2A 1847/4885KDM4E 1914/4885MAPT 3445/4885

“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.