SCHEMBL17834705

SCHEMBL17834705

CC(C)(C)OC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)c1ccc(C(C)(C)C)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
MAPT P10636 6/20 0.44
TDP1 Q9NUW8 4/20 0.44
POLB P06746 3/20 0.44
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
LY96 Q9Y6Y9 1/20 0.41
NPSR1 Q6W5P4 3/20 0.41
ATM Q13315 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MLYCD O95822 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RECQL P46063 1/20 0.40
PAX8 Q06710 1/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
HCRTR1 O43613 1/20 0.39

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
SCHEMBL22384302 1.00 CTSS (0.47) CTSSCTSKMAPTTDP1POLB
SCHEMBL15096417 0.91 MAPT (0.44) MAPTTDP1POLBLY96NPSR1
SCHEMBL22384223 0.91 LY96 (0.50) CTSSCTSKMAPTTDP1POLB
SCHEMBL15037034 0.91 LY96 (0.50) CTSSCTSKMAPTTDP1POLB
SCHEMBL19485485 0.90 MAPT (0.55) MAPTTDP1POLBNPSR1ATM
SCHEMBL22384089 0.90 CTSS (0.47) CTSSCTSKMAPTTDP1POLB
SCHEMBL17834708 0.90 CTSS (0.47) CTSSCTSKMAPTTDP1POLB
SCHEMBL19533184 0.88 LY96 (0.48) CTSSCTSKMAPTTDP1POLB
SCHEMBL17825497 0.87 MAPT (0.43) MAPTTDP1POLBLY96NPSR1
SCHEMBL17825520 0.87 MAPT (0.43) MAPTTDP1POLBLY96NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 EP disclosed
EP-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 EP disclosed
US-10034886-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2018-07-31 US disclosed
US-10034886-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2018-07-31 US disclosed
US-10034886-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2018-07-31 US disclosed
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2018-01-25 US disclosed
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2018-01-25 US disclosed
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2018-01-25 US disclosed
US-9795613-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-10-24 US disclosed
US-9795613-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-10-24 US disclosed
US-9795613-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-10-24 US disclosed
US-20160228450-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-08-11 US disclosed
US-20160228450-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-08-11 US disclosed
US-20160228450-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-08-11 US disclosed
WO-2016094729-A1 GLP-1 RECEPTOR MODULATORS CELGENE INTERNATIONAL II SARL (CH) 2016-06-16 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 (3 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-20160228450-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R CTSS 3233/4885CTSK 3229/4885MAPT 4366/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R CTSS 3233/4885CTSK 3229/4885MAPT 4366/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR CTSS 3308/4885CTSK 3459/4885MAPT 4208/4885

“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.