SCHEMBL1033002

SCHEMBL1033002

C=CC[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.49
▸ SSTR1 P30872 1/20 0.47
▸ SSTR2 P30874 1/20 0.47
▸ SSTR4 P31391 1/20 0.47
▸ SSTR3 P32745 1/20 0.47
▸ SSTR5 P35346 1/20 0.47
▸ NT5E P21589 1/20 0.46
▸ BCHE P06276 3/20 0.44
▸ ACHE P22303 2/20 0.44
▸ PTPN1 P18031 7/20 0.44
▸ CDC25B P30305 6/20 0.44
▸ PTPN2 P17706 3/20 0.44
▸ PTPN11 Q06124 3/20 0.44
▸ PTPN6 P29350 2/20 0.44
▸ TACR2 P21452 2/20 0.43

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
SCHEMBL16229071 1.00 HTR1A (0.49) HTR1ASSTR1SSTR2SSTR4SSTR3
SCHEMBL13164470 1.00 HTR1A (0.49) HTR1ASSTR1SSTR2SSTR4SSTR3
SCHEMBL21013401 1.00 HTR1A (0.49) HTR1ASSTR1SSTR2SSTR4SSTR3
SCHEMBL1033003 1.00 HTR1A (0.49) HTR1ASSTR1SSTR2SSTR4SSTR3
SCHEMBL16632218 1.00 HTR1A (0.49) HTR1ASSTR1SSTR2SSTR4SSTR3
SCHEMBL16632221 1.00 HTR1A (0.49) HTR1ASSTR1SSTR2SSTR4SSTR3
SCHEMBL8733842 1.00 HTR1A (0.49) HTR1ASSTR1SSTR2SSTR4SSTR3
SCHEMBL24119107 0.91 BCHE (0.50) HTR1ASSTR1SSTR2SSTR4SSTR3
SCHEMBL14001401 0.90 HTR1A (0.46) HTR1ASSTR1SSTR2SSTR4SSTR3
SCHEMBL12612549 0.90 HTR1A (0.46) HTR1ASSTR1SSTR2SSTR4SSTR3

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 14 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
CN-105792852-A Glucose-responsive insulin conjugates 默沙东公司 2016-07-20 — — CN disclosed
US-20150105317-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES MERCK SHARP & DOHME LLC 2015-04-16 — — US disclosed
EP-2276773-A2 COMPOUNDS WITH GLYCIDIC STRUCTURE ACTIVE IN THE THERAPY OF SYSTEMIC AND LOCAL INFLAMMATION La Ferla, Barbara (IT) 2011-01-26 — — EP disclosed
WO-2009135673-A2 COMPOUNDS WITH GLYCIDIC STRUCTURE ACTIVE IN THE THERAPY OF SYSTEMIC LA FERLA BARBARA (IT) 2009-11-12 — — 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 HTR1A 3230/4885SSTR1 70/4885SSTR2 120/4885
US-20150105317-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES GPR119, INSR, IRS1 HTR1A 2798/4885SSTR1 69/4885SSTR2 123/4885
US-20160251407-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES GPR119, INSR, IRS1 HTR1A 3137/4885SSTR1 70/4885SSTR2 130/4885
US-20160303244-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES GPR119, INSR, IRS1 HTR1A 2798/4885SSTR1 69/4885SSTR2 123/4885

“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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