SCHEMBL16620860

SCHEMBL16620860

O=C(O)CCN(CCC(=O)O)C(=O)CCCCC(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 3/20 0.52
KDM4C Q9H3R0 3/20 0.52
KDM5A P29375 1/20 0.52
PHF8 Q9UPP1 1/20 0.52
KDM2A Q9Y2K7 1/20 0.52
ALOX5 P09917 4/20 0.50
HTT P42858 1/20 0.50
MAPK1 P28482 2/20 0.49
ALDH1A1 P00352 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CASP1 P29466 1/20 0.46
EPHX2 P34913 1/20 0.46
MAPT P10636 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
LMNA P02545 1/20 0.45
CCR6 P51684 1/20 0.45
PAX8 Q06710 1/20 0.45
HDAC3 O15379 1/20 0.44
ADRA1A P35348 1/20 0.44
HDAC4 P56524 1/20 0.44

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
SCHEMBL16620540 0.88 ALDH1A1 (0.51) KDM4AKDM4CKDM5APHF8KDM2A
SCHEMBL16620634 0.87 ALOX5 (0.49) KDM4AKDM4CKDM5APHF8KDM2A
SCHEMBL18674 0.85 ALDH1A1 (0.61) HTTMAPK1ALDH1A1L3MBTL1CASP1
SCHEMBL17004058 0.83 HTT (0.59) HTTMAPK1ALDH1A1L3MBTL1CASP1
SCHEMBL3335775 0.83 HTT (0.59) HTTMAPK1ALDH1A1L3MBTL1CASP1
SCHEMBL9814068 0.83 HTT (0.59) HTTMAPK1ALDH1A1L3MBTL1CASP1
SCHEMBL16197784 0.83 HTT (0.59) HTTMAPK1ALDH1A1L3MBTL1CASP1
SCHEMBL8491249 0.83 HTT (0.59) HTTMAPK1ALDH1A1L3MBTL1CASP1
SCHEMBL8854045 0.83 HTT (0.59) HTTMAPK1ALDH1A1L3MBTL1CASP1
SCHEMBL905777 0.83 HTT (0.59) HTTMAPK1ALDH1A1L3MBTL1CASP1

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 13 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
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 KDM4A 4127/4885KDM4C 3901/4885KDM5A 4579/4885
US-20150105317-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES GPR119, INSR, IRS1 KDM4A 4166/4885KDM4C 3929/4885KDM5A 4590/4885
US-20160251407-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES GPR119, INSR, IRS1 KDM4A 4191/4885KDM4C 3963/4885KDM5A 4571/4885
US-20160303244-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES GPR119, INSR, IRS1 KDM4A 4166/4885KDM4C 3929/4885KDM5A 4590/4885

“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.