SCHEMBL17539147

SCHEMBL17539147

CCc1ccc(C(=O)N[C@@H](Cc2ccc(-c3ncc(C4=CCC([C@H]5CC[C@H](C)CC5)CC4)cn3)cc2)C(=O)N2CC(C(=O)O)C2)s1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ SMYD3 Q9H7B4 1/20 0.31
▸ ITGA4 P13612 3/20 0.30
▸ ITGB7 P26010 3/20 0.30

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
SCHEMBL17532348 0.94 F2 (0.32) PYGLNPC1TP53HPGDTSHR
SCHEMBL17492905 0.93 PYGL (0.31) PYGLNPC1TP53HPGDTSHR
SCHEMBL22167427 0.93 PYGL (0.31) PYGLNPC1TP53HPGDTSHR
SCHEMBL17492904 0.93 PYGL (0.31) PYGLNPC1TP53HPGDTSHR
SCHEMBL17539191 0.93 CTRL (0.32) PYGLNPC1TP53HPGDTSHR
SCHEMBL17492920 0.90 PYGL (0.32) PYGL
SCHEMBL17459556 0.90 PYGL (0.32) PYGL
SCHEMBL22167241 0.90 PYGL (0.32) PYGL
SCHEMBL22167409 0.89 S1PR1 (0.33) PYGLITGA4ITGB7
SCHEMBL17539201 0.89 S1PR1 (0.33) PYGLITGA4ITGB7

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
EP-3172199-B1 PYRIMIDINE DERIVATIVES AS GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-07-01 — — EP disclosed
US-9839664-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-12-12 — — US disclosed
US-20170216392-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2017-08-03 — — US disclosed
US-9474755-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SARL (CH) 2016-10-25 — — US disclosed
US-20160038487-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-02-11 — — 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 (2 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-20170216392-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R PYGL 376/4885NPC1 3488/4885TP53 4359/4885
US-20160038487-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R PYGL 376/4885NPC1 3488/4885TP53 4359/4885

“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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