SCHEMBL19485606

SCHEMBL19485606

CC(C)(C)c1ccc(C(=O)N[C@@H](Cc2ccc(-c3ncc(-c4ccc(-c5ccc(C6CCCC6)cc5)cc4F)cn3)cc2)C(=O)N2CC(C(=O)O)C2)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ APP P05067 1/20 0.36
▸ S1PR1 P21453 4/20 0.35
▸ S1PR4 O95977 3/20 0.35
▸ S1PR5 Q9H228 3/20 0.35
▸ S1PR3 Q99500 2/20 0.35
▸ SRC P12931 1/20 0.33
▸ F2R P25116 1/20 0.33
▸ F2 P00734 2/20 0.33
▸ F10 P00742 2/20 0.33
▸ PLG P00747 2/20 0.33
▸ PLAU P00749 2/20 0.33
▸ ST14 Q9Y5Y6 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ PRCP P42785 2/20 0.33
▸ PYGL P06737 1/20 0.33
▸ HSD11B1 P28845 1/20 0.32
▸ ACKR3 P25106 1/20 0.32

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
SCHEMBL17834454 1.00 CYP3A4 (0.37) CYP3A4CYP2C9APPS1PR1S1PR4
SCHEMBL17834458 0.99 CYP3A4 (0.36) CYP3A4CYP2C9APPS1PR1S1PR4
SCHEMBL17834420 0.97 PYGL (0.33) CYP3A4CYP2C9APPS1PR1S1PR4
SCHEMBL22384469 0.94 CYP3A4 (0.36) CYP3A4CYP2C9APPS1PR1S1PR4
SCHEMBL22384480 0.93 CYP3A4 (0.34) CYP3A4CYP2C9APPS1PR1S1PR4
SCHEMBL17834771 0.93 S1PR1 (0.39) S1PR1S1PR4S1PR5S1PR3F2
SCHEMBL17995211 0.92 DPP4 (0.37) S1PR1S1PR3F10ST14KDM1A
SCHEMBL17834633 0.91 F2 (0.35) S1PR1S1PR5F2F10PLG
SCHEMBL17834419 0.91 S1PR1 (0.35) S1PR1S1PR5S1PR3F10ST14
SCHEMBL17834639 0.91 S1PR1 (0.38) S1PR1S1PR4S1PR5S1PR3PRCP

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 2 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-9795613-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-10-24 — — 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 (1 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-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR CYP3A4 3252/4885CYP2C9 2291/4885APP 822/4885

“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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