SCHEMBL17825403

SCHEMBL17825403

CC(C)(C)c1ccc(C(=O)N[C@@H](Cc2ccc(Br)cc2)C(=O)NS(C)(=O)=O)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.44
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
CXCR1 P25024 2/20 0.39
CXCR2 P25025 2/20 0.39
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
BCL2 P10415 1/20 0.36
USP30 Q70CQ3 2/20 0.35
CTSL P07711 2/20 0.35
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
ATM Q13315 1/20 0.34
CTSB P07858 1/20 0.34
HSPA1A P0DMV8 1/20 0.34
HSPA5 P11021 1/20 0.34
HSPA9 P38646 1/20 0.34

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
SCHEMBL22384235 1.00 MCL1 (0.44) MCL1CTSSCTSKCXCR1CXCR2
SCHEMBL17492917 0.88 ITGA4 (0.41) MCL1CXCR1CXCR2ITGA4ITGB7
SCHEMBL17459606 0.88 ITGA4 (0.41) MCL1CXCR1CXCR2ITGA4ITGB7
SCHEMBL17825293 0.84 FPR2 (0.46) CTSSCTSKITGA4NPC1RAB9A
SCHEMBL17825296 0.84 FPR2 (0.46) CTSSCTSKITGA4NPC1RAB9A
SCHEMBL17834382 0.84 CA1 (0.39) MCL1CXCR1CXCR2ITGA4ITGB7
SCHEMBL17968786 0.83 MME (0.47) CTSSCTSKCTSB
SCHEMBL17834705 0.81 CTSS (0.47) CTSSCTSKNPC1RAB9ARXFP1
SCHEMBL22384302 0.81 CTSS (0.47) CTSSCTSKNPC1RAB9ARXFP1
SCHEMBL22384088 0.81 CTSS (0.53) CTSSCTSKCTSLCTSB

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 17 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
EP-3230276-A1 GLP-1 RECEPTOR MODULATORS Celgene International II Sarl (CH) 2017-10-18 EP 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
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 MCL1 2102/4885CTSS 3233/4885CTSK 3229/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R MCL1 2102/4885CTSS 3233/4885CTSK 3229/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR MCL1 1664/4885CTSS 3308/4885CTSK 3459/4885

“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.