SCHEMBL16632142

SCHEMBL16632142

[N-]=[N+]=NCCO[C@H]1O[C@H](CO[C@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.46
▸ USP2 O75604 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ F11 P03951 2/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ TMPRSS2 O15393 1/20 0.42
▸ PDE5A O76074 1/20 0.42
▸ HMGCR P04035 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ LCK P06239 1/20 0.42
▸ FYN P06241 1/20 0.42
▸ HSPD1 P10809 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CA6 P23280 1/20 0.42
▸ TBXAS1 P24557 1/20 0.42
▸ MAPK3 P27361 1/20 0.42
▸ MAPK1 P28482 1/20 0.42

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
SCHEMBL18654300 1.00 PTPN1 (0.46) PTPN1USP2MEN1POLBKMT2A
SCHEMBL28331635 1.00 PTPN1 (0.46) PTPN1USP2MEN1POLBKMT2A
SCHEMBL16632144 1.00 PTPN1 (0.46) PTPN1USP2MEN1POLBKMT2A
SCHEMBL30391937 0.96 PTPN1 (0.43) PTPN1USP2MEN1POLBKMT2A
SCHEMBL20233432 0.95 CD209 (0.44) PTPN1USP2MEN1POLBKMT2A
SCHEMBL20226192 0.94 PTPN1 (0.41) PTPN1USP2MEN1POLBKMT2A
SCHEMBL14978164 0.92 PTPN1 (0.44) PTPN1USP2MEN1POLBKMT2A
SCHEMBL16299195 0.92 PTPN1 (0.44) PTPN1USP2MEN1POLBKMT2A
SCHEMBL20730008 0.92 PTPN1 (0.44) PTPN1USP2MEN1POLBKMT2A
SCHEMBL21650986 0.92 CD209 (0.45) PTPN1USP2MEN1POLBKMT2A

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 11 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
CN-105792852-B Glucose-responsive insulin conjugates 默沙东公司 2019-12-10 — — CN 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
US-20150105317-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES MERCK SHARP & DOHME LLC 2015-04-16 — — 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 (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 PTPN1 2904/4885USP2 4318/4885MEN1 297/4885
US-20150105317-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES GPR119, INSR, IRS1 PTPN1 2845/4885USP2 4229/4885MEN1 342/4885
US-20160251407-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES GPR119, INSR, IRS1 PTPN1 2803/4885USP2 4141/4885MEN1 279/4885
US-20160303244-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES GPR119, INSR, IRS1 PTPN1 2845/4885USP2 4229/4885MEN1 342/4885

“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