SCHEMBL17834372

SCHEMBL17834372

C[C@@H](NC(=O)[C@H](Cc1ccc(-c2ncc(-c3ccc(OS(=O)(=O)C(F)(F)F)cc3)cn2)cc1)NC(=O)c1ccc(C(C)(C)C)s1)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 4/20 0.38
TDP1 Q9NUW8 2/20 0.37
KLKB1 P03952 2/20 0.34
MCL1 Q07820 3/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
P2RX7 Q99572 3/20 0.34
USP30 Q70CQ3 2/20 0.34
PSMB1 P20618 1/20 0.33
PSMB8 P28062 1/20 0.33
PSMB9 P28065 1/20 0.33
PSMB5 P28074 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KDM4A O75164 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 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
SCHEMBL17968918 0.93 MME (0.37) BCL2KLKB1MCL1USP30KDM4E
SCHEMBL19465502 0.93 MME (0.37) BCL2KLKB1MCL1USP30KDM4E
SCHEMBL17834699 0.91 ALOX5AP (0.40) BCL2TDP1KLKB1MCL1CTSS
SCHEMBL17834371 0.91 TDP1 (0.35) BCL2TDP1MCL1CTSSCTSK
SCHEMBL16305783 0.88 TDP1 (0.39) BCL2TDP1CTSSCTSKPOLB
SCHEMBL22756207 0.88 TDP1 (0.39) BCL2TDP1CTSSCTSKPOLB
SCHEMBL16305636 0.86 ITGB1 (0.38) TDP1KLKB1MCL1
SCHEMBL22167206 0.86 TDP1 (0.41) TDP1KLKB1CTSSCTSKPOLB
SCHEMBL17459587 0.86 TDP1 (0.41) TDP1KLKB1CTSSCTSKPOLB
SCHEMBL17459588 0.86 TDP1 (0.41) TDP1KLKB1CTSSCTSKPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 BCL2 514/4885TDP1 3121/4885KLKB1 2855/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R BCL2 514/4885TDP1 3121/4885KLKB1 2855/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR BCL2 420/4885TDP1 3259/4885KLKB1 2865/4885

“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.