SCHEMBL17994248

SCHEMBL17994248

Cc1cnc(-c2ccc(CC(NC(=O)c3cccs3)C(=O)N3CCCC3C(=O)O)cc2)nc1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 14/20 0.50
▸ ACE2 Q9BYF1 7/20 0.50
▸ TSHR P16473 1/20 0.49
▸ MME P08473 1/20 0.45
▸ MMEL1 Q495T6 1/20 0.45

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
SCHEMBL16375210 0.92 TSHR (0.51) ACEACE2TSHRMMEMMEL1
SCHEMBL17994250 0.89 ACE (0.63) ACEACE2TSHR
SCHEMBL17994246 0.85 RAB9A (0.43) —
SCHEMBL17994245 0.83 HSPA1A (0.41) —
SCHEMBL17994253 0.83 HSPA5 (0.43) TSHR
SCHEMBL17994251 0.82 HSPA5 (0.50) ACEACE2MME
SCHEMBL16375206 0.82 TSHR (0.63) ACEACE2TSHR
SCHEMBL17834576 0.80 ACE (0.49) ACEACE2TSHRMMEMMEL1
SCHEMBL17968865 0.79 ACE (0.46) ACEACE2TSHR
SCHEMBL17968867 0.79 ACE (0.46) ACEACE2TSHR

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 4 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

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 ACE 3137/4885ACE2 3162/4885TSHR 45/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ACE 3137/4885ACE2 3162/4885TSHR 45/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR ACE 2924/4885ACE2 3115/4885TSHR 44/4885

“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.

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