SCHEMBL16620453

SCHEMBL16620453

CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@H](C)O[C@@H](O)[C@H]1OC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 8/20 0.51
CA12 O43570 7/20 0.51
CA2 P00918 7/20 0.51
CA1 P00915 6/20 0.51
TSHR P16473 2/20 0.40
CYP2D6 P10635 3/20 0.34
OGA O60502 1/20 0.34
THRB P10828 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NR3C1 P04150 1/20 0.33
FYN P06241 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADRA2B P18089 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
CYP3A4 P08684 2/20 0.32
PTPN1 P18031 2/20 0.32
RPS6KA3 P51812 1/20 0.31
RPS6KA1 Q15418 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
SCHEMBL14022962 1.00 CA9 (0.51) CA9CA12CA2CA1TSHR
SCHEMBL8432075 1.00 CA9 (0.51) CA9CA12CA2CA1TSHR
SCHEMBL12975857 1.00 CA9 (0.51) CA9CA12CA2CA1TSHR
SCHEMBL23563178 1.00 CA9 (0.51) CA9CA12CA2CA1TSHR
SCHEMBL15596615 1.00 CA9 (0.51) CA9CA12CA2CA1TSHR
SCHEMBL23133262 1.00 CA9 (0.51) CA9CA12CA2CA1TSHR
SCHEMBL18814012 1.00 CA9 (0.51) CA9CA12CA2CA1TSHR
SCHEMBL4409830 1.00 CA9 (0.51) CA9CA12CA2CA1TSHR
SCHEMBL13697192 1.00 CA9 (0.51) CA9CA12CA2CA1TSHR
SCHEMBL14268499 1.00 CA9 (0.51) CA9CA12CA2CA1TSHR

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 12 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
EP-3280450-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES Merck Sharp & Dohme Corp. (US) 2018-02-14 EP 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
WO-2016164288-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES MERCK SHARP & DOHME CORP. (US) 2016-10-13 WO disclosed
US-20160251407-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES MERCK SHARP & DOHME CORP. (US) 2016-09-01 US disclosed
US-9427475-B2 Glucose-responsive insulin conjugates MERCK SHARP & DOHME CORP. (US) 2016-08-30 US disclosed
EP-3052134-A2 GLUCOSE-RESPONSIVE INSULIN CONJUGATES Merck Sharp & Dohme Corp. (US) 2016-08-10 EP disclosed
US-20150105317-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES MERCK SHARP & DOHME LLC 2015-04-16 US 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 (4 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 CA9 2526/4885CA12 1075/4885CA2 4534/4885
US-20150105317-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES GPR119, INSR, IRS1 CA9 2512/4885CA12 1044/4885CA2 4528/4885
US-20160251407-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES GPR119, INSR, IRS1 CA9 2736/4885CA12 1084/4885CA2 4612/4885
US-20160303244-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES GPR119, INSR, IRS1 CA9 2512/4885CA12 1044/4885CA2 4528/4885

“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.