SCHEMBL18164176

SCHEMBL18164176

CC(=O)CCCCCCNC(=O)CN(CC(=O)NCCCCCC(=O)NCCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)CC(=O)NCCCCCC(=O)NCCO[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)C(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 1/20 0.47
▸ HPSE Q9Y251 4/20 0.44
▸ FGF1 P05230 3/20 0.44
▸ FGF2 P09038 3/20 0.44
▸ VEGFA P15692 1/20 0.44
▸ SELP P16109 3/20 0.43
▸ CD209 Q9NNX6 2/20 0.41
▸ MDK P21741 1/20 0.40
▸ GJB2 P29033 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ LGALS8 O00214 2/20 0.39
▸ LGALS3 P17931 2/20 0.39
▸ LGALS4 P56470 2/20 0.39
▸ SELL P14151 2/20 0.38
▸ SELE P16581 2/20 0.37
▸ ENGASE Q8NFI3 1/20 0.37

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
SCHEMBL16644765 1.00 MMP13 (0.47) MMP13HPSEFGF1FGF2VEGFA
SCHEMBL16644766 1.00 MMP13 (0.47) MMP13HPSEFGF1FGF2VEGFA
SCHEMBL18164248 0.99 MMP13 (0.47) MMP13HPSEFGF1FGF2VEGFA
SCHEMBL16644812 0.99 MMP13 (0.47) MMP13HPSEFGF1FGF2VEGFA
SCHEMBL16644846 0.98 MMP13 (0.45) MMP13HPSEFGF1FGF2VEGFA
SCHEMBL18056147 0.98 MMP13 (0.45) MMP13HPSEFGF1FGF2VEGFA
SCHEMBL16644789 0.98 MMP13 (0.45) MMP13HPSEFGF1FGF2VEGFA
SCHEMBL16644757 0.98 MMP13 (0.45) MMP13HPSEFGF1FGF2VEGFA
SCHEMBL18056146 0.95 MMP13 (0.46) MMP13HPSEFGF1FGF2VEGFA
SCHEMBL18056129 0.95 MMP13 (0.43) MMP13HPSEFGF1FGF2VEGFA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160303244-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES MERCK SHARP & DOHME CORP. (US) 2016-10-20 — — 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-20160303244-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES GPR119, INSR, IRS1 MMP13 3215/4885HPSE 875/4885FGF1 611/4885

“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.

Send feedback