SCHEMBL19544320

SCHEMBL19544320

O=C(O)CC(O)NC(=O)CCc1ccc(-c2ncc(-c3ccccc3)cn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP12 P39900 5/20 0.47
▸ MMP2 P08253 3/20 0.47
▸ MMP13 P45452 3/20 0.47
▸ MMP9 P14780 2/20 0.47
▸ MMP14 P50281 2/20 0.47
▸ FFAR1 O14842 3/20 0.47
▸ MMP8 P22894 2/20 0.43
▸ MMP3 P08254 1/20 0.43
▸ MMP10 P09238 1/20 0.43
▸ MMEL1 Q495T6 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MME P08473 3/20 0.42
▸ CES1 P23141 1/20 0.42
▸ FFAR4 Q5NUL3 1/20 0.41
▸ ACE P12821 1/20 0.41

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
SCHEMBL19544482 0.80 FFAR1 (0.50) MMP12FFAR1NPC1NFKB1RAB9A
SCHEMBL19544342 0.76 FFAR1 (0.54) MMP12FFAR1NPC1NFKB1RAB9A
SCHEMBL7796725 0.71 FFAR1 (0.54) FFAR1NPC1RAB9ASMN1; SMN2FFAR4
SCHEMBL10008805 0.69 ADORA3 (0.59) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL22449177 0.69 NR1H4 (0.49) NPC1RAB9ASMN1; SMN2PRCP
SCHEMBL22361824 0.69 MAPT (0.56) FFAR1MMEHDAC2
SCHEMBL19418905 0.69 MAPT (0.56) FFAR1MMEHDAC2
SCHEMBL16375212 0.68 PTPN1 (0.57) MMEACE
SCHEMBL22449131 0.68 RXRA (0.62) FFAR1
SCHEMBL7796867 0.68 RARB (0.61) FFAR1NPC1NFKB1RAB9ANFKB2

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-10259823-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2019-04-16 — — US disclosed
US-20170313717-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2017-11-02 — — 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-20170313717-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R MMP12 4516/4885MMP2 3978/4885MMP13 4488/4885
US-10259823-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR MMP12 4447/4885MMP2 3977/4885MMP13 4374/4885

“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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