SCHEMBL17968809

SCHEMBL17968809

CCCc1ccc(-c2ccc(-c3cnc(-c4ccc(C[C@H](NC(=O)OCc5ccccc5)C(=O)N5CC(C(=O)O)C5)cc4)nc3)c(F)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.42
▸ ITGAV P06756 1/20 0.42
▸ FNTA P49354 1/20 0.40
▸ FNTB P49356 1/20 0.40
▸ P2RX7 Q99572 8/20 0.40
▸ CTSK P43235 4/20 0.40
▸ CTSL P07711 5/20 0.39
▸ CTSB P07858 2/20 0.39
▸ ITGA4 P13612 1/20 0.39
▸ ITGB7 P26010 1/20 0.39
▸ CTSS P25774 2/20 0.38
▸ FEN1 P39748 1/20 0.38
▸ PYGL P06737 1/20 0.38

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
SCHEMBL17825441 1.00 ITGB3 (0.42) ITGB3ITGAVFNTAFNTBP2RX7
SCHEMBL17834418 0.93 P2RX7 (0.43) ITGB3ITGAVFNTAFNTBP2RX7
SCHEMBL22384231 0.93 P2RX7 (0.43) ITGB3ITGAVFNTAFNTBP2RX7
SCHEMBL17995149 0.85 S1PR1 (0.40) CTSKCTSBCTSSPYGL
SCHEMBL17995193 0.84 PYGL (0.37) CTSKCTSLCTSBCTSSFEN1
SCHEMBL17834937 0.84 KIFC1 (0.37) FEN1PYGL
SCHEMBL17834934 0.84 KIFC1 (0.40) CTSLFEN1PYGL
SCHEMBL17995153 0.84 CCR1 (0.39) PYGL
SCHEMBL17834792 0.83 PSMB5 (0.35) CTSSPYGL
SCHEMBL17995228 0.83 KDM1A (0.40) ITGA4ITGB7PYGL

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-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-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 ITGB3 4025/4885ITGAV 4625/4885FNTA 2819/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ITGB3 4025/4885ITGAV 4625/4885FNTA 2819/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR ITGB3 3678/4885ITGAV 4586/4885FNTA 2586/4885

“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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