SCHEMBL19695867

SCHEMBL19695867

CCC1CCC(C2CC=C(c3cnc(-c4ccc(C[C@H](NC(=O)c5ccc(C(C)(C)C)s5)C(=O)O)cc4)nc3)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KIFC1 Q9BW19 2/20 0.34
▸ ITGB1 P05556 11/20 0.33
▸ ITGA4 P13612 5/20 0.33
▸ ITGB7 P26010 5/20 0.33
▸ ITGB3 P05106 8/20 0.33
▸ ITGA2B P08514 8/20 0.33
▸ ITGA5 P08648 7/20 0.33
▸ ITGAV P06756 6/20 0.33
▸ ITGB5 P18084 6/20 0.33
▸ SLC8A1 P32418 1/20 0.31
▸ MME P08473 1/20 0.31
▸ ACE P12821 1/20 0.31
▸ ACE2 Q9BYF1 1/20 0.31
▸ PSMB2 P49721 2/20 0.31
▸ PSMB10 P40306 1/20 0.31

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
SCHEMBL17532368 1.00 KIFC1 (0.34) KIFC1ITGB1ITGA4ITGB7ITGB3
SCHEMBL17468487 1.00 KIFC1 (0.34) KIFC1ITGB1ITGA4ITGB7ITGB3
SCHEMBL17539189 0.95 KIFC1 (0.35) KIFC1ITGB1ITGA4ITGB7ITGB3
SCHEMBL22167479 0.95 KIFC1 (0.35) KIFC1ITGB1ITGA4ITGB7ITGB3
SCHEMBL17532356 0.93 MME (0.32) MMEPSMB2PSMB10
SCHEMBL17532330 0.93 MME (0.32) MMEPSMB2PSMB10
SCHEMBL17492912 0.93 KIFC1 (0.33) KIFC1ITGB1ITGA4ITGB7ITGB3
SCHEMBL17492913 0.93 KIFC1 (0.33) KIFC1ITGB1ITGA4ITGB7ITGB3
SCHEMBL22167488 0.92 ITGA4 (0.35) KIFC1ITGB1ITGA4ITGB7ITGB3
SCHEMBL17532369 0.92 ITGA4 (0.35) KIFC1ITGB1ITGA4ITGB7ITGB3

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-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

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-20170216392-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R KIFC1 4760/4885ITGB1 2411/4885ITGA4 3987/4885

“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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