SCHEMBL16628305

SCHEMBL16628305

C[C@@H]1O[C@@H](CCCN(CCCCCC(=O)ON2C(=O)CCC2=O)CCO[C@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CD209 Q9NNX6 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ FGF1 P05230 1/20 0.36
▸ FGF2 P09038 1/20 0.36
▸ VEGFA P15692 1/20 0.36
▸ HPSE Q9Y251 1/20 0.36
▸ ENGASE Q8NFI3 1/20 0.36
▸ SELL P14151 2/20 0.35
▸ SELP P16109 2/20 0.35
▸ IGF2R P11717 1/20 0.35
▸ SELE P16581 2/20 0.35
▸ MMP13 P45452 2/20 0.34
▸ LGALS8 O00214 1/20 0.34
▸ LGALS3 P17931 1/20 0.34
▸ LGALS4 P56470 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34

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
SCHEMBL18053513 1.00 CD209 (0.38) CD209ALDH1A1CYP3A4ALOX15MAPK1
SCHEMBL20094645 1.00 CD209 (0.38) CD209ALDH1A1CYP3A4ALOX15MAPK1
SCHEMBL18053514 0.99 CD209 (0.38) CD209ALDH1A1CYP3A4ALOX15MAPK1
SCHEMBL16628306 0.99 CD209 (0.38) CD209ALDH1A1CYP3A4ALOX15MAPK1
SCHEMBL18053512 0.96 CD209 (0.40) CD209ALDH1A1CYP3A4ALOX15MAPK1
SCHEMBL16628252 0.96 CD209 (0.40) CD209ALDH1A1CYP3A4ALOX15MAPK1
SCHEMBL16628296 0.96 CD209 (0.40) CD209ALDH1A1CYP3A4ALOX15MAPK1
SCHEMBL18053516 0.96 CD209 (0.40) CD209ALDH1A1CYP3A4ALOX15MAPK1
SCHEMBL19860854 0.94 FGF1 (0.38) CD209ALDH1A1CYP3A4ALOX15MAPK1
SCHEMBL25424998 0.93 CD209 (0.43) CD209FGF1FGF2VEGFAHPSE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3052134-B1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES MERCK SHARP & DOHME (US) 2021-05-05 — — EP disclosed
US-20180110863-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES MERCK SHARP & DOHME CORP. (US) 2018-04-26 — — US disclosed
US-9889205-B2 Glucose-responsive insulin conjugates MERCK SHARP & DOHME CORP. (US) 2018-02-13 — — US disclosed
US-9889205-B2 Glucose-responsive insulin conjugates MERCK SHARP & DOHME CORP. (US) 2018-02-13 — — US disclosed
US-9884125-B2 Glucose-responsive insulin conjugates MERCK SHARP & DOHME CORP. (US) 2018-02-06 — — US disclosed
US-20160303244-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES MERCK SHARP & DOHME CORP. (US) 2016-10-20 — — US disclosed
US-20160303244-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES MERCK SHARP & DOHME CORP. (US) 2016-10-20 — — US disclosed
WO-2016164288-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES MERCK SHARP & DOHME CORP. (US) 2016-10-13 — — WO disclosed
WO-2015051052-A2 GLUCOSE-RESPONSIVE INSULIN CONJUGATES MERCK SHARP & DOHME CORP. (US) 2015-04-09 — — WO 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-20180110863-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES GPR119, INSR, IRS1 CD209 2147/4885ALDH1A1 3422/4885CYP3A4 1438/4885
US-20160303244-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES GPR119, INSR, IRS1 CD209 1933/4885ALDH1A1 3285/4885CYP3A4 1382/4885

“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