SCHEMBL21049844

SCHEMBL21049844

O=C(O)CCOCCNC(=O)CCOCCC(=O)NCCOCCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
CA12 O43570 4/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA4 P22748 4/20 0.40
CA9 Q16790 4/20 0.40
CA14 Q9ULX7 4/20 0.40
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.34
KDM6B O15054 1/20 0.34
KDM5C P41229 1/20 0.34
FOLH1 Q04609 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
PHF8 Q9UPP1 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
PRMT1 Q99873 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
SCHEMBL19646440 0.92 SMN1; SMN2 (0.40) ECE1SMN1; SMN2CA12CA1CA2
SCHEMBL19643616 0.92 CA12 (0.44) ECE1SMN1; SMN2CA12CA1CA2
SCHEMBL25835797 0.91 MEN1 (0.45) ECE1SMN1; SMN2CA12CA1CA2
SCHEMBL14942384 0.90 NAAA (0.43) ECE1SMN1; SMN2CA12CA1CA2
SCHEMBL16230029 0.90 ECE1 (0.47) ECE1SMN1; SMN2CA12CA1CA2
SCHEMBL24117783 0.89 ECE1 (0.50) ECE1SMN1; SMN2CA12CA1CA2
SCHEMBL23158185 0.89 CA2 (0.40) ECE1SMN1; SMN2CA12CA1CA2
SCHEMBL13225383 0.89 TSHR (0.49) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL23963956 0.89 MEN1 (0.44) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL22388820 0.89 ADRA1A (0.46) ECE1SMN1; SMN2CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250051416-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME LLC (US) 2025-02-13 US disclosed
EP-4204442-A1 INSULIN RECEPTOR PARTIAL AGONISTS Merck Sharp & Dohme LLC (US) 2023-07-05 EP disclosed
WO-2022046747-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-03-03 WO disclosed
US-10689430-B2 Insulin receptor partial agonists MERCK SHARP & DOHME CORP. (US) 2020-06-23 US disclosed
US-20190177393-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2019-06-13 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 (3 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-20190177393-A1 INSULIN RECEPTOR PARTIAL AGONISTS INSR, GPR119, IRS1 ECE1 1350/4885SMN1; SMN2 3416/4885CA12 4655/4885
US-10689430-B2 Insulin receptor partial agonists INSR, GPR119, IRS1 ECE1 1350/4885SMN1; SMN2 3416/4885CA12 4655/4885
US-20250051416-A1 INSULIN RECEPTOR PARTIAL AGONISTS INSR, GPR119, IRS1 ECE1 1350/4885SMN1; SMN2 3416/4885CA12 4655/4885

“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.