SCHEMBL17776308

SCHEMBL17776308

CC(=O)CCOCCOCCOCc1cn(CCOCCC(C)=O)nn1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 6/20 0.48
ABCC1 P33527 2/20 0.42
ABCG2 Q9UNQ0 2/20 0.42
ABCB1 P08183 1/20 0.42
NCF1 P14598 7/20 0.41
MMP2 P08253 4/20 0.41
MMP9 P14780 4/20 0.41
MMP8 P22894 4/20 0.41
MMP13 P45452 4/20 0.41
CYBB P04839 1/20 0.41
NOX5 Q96PH1 1/20 0.41
HSP90AB1 P08238 1/20 0.40

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
SCHEMBL21537936 0.94 DGAT1 (0.45) DGAT1ABCC1ABCG2ABCB1NCF1
SCHEMBL13139277 0.92 MMP2 (0.47) DGAT1MMP2MMP9MMP8MMP13
SCHEMBL16180807 0.92 MMP2 (0.47) DGAT1MMP2MMP9MMP8MMP13
SCHEMBL24276657 0.91 DGAT1 (0.53) DGAT1MMP2MMP9MMP8MMP13
SCHEMBL18768971 0.91 DGAT1 (0.53) DGAT1MMP2MMP9MMP8MMP13
SCHEMBL24450930 0.89 DGAT1 (0.39) DGAT1ABCB1NCF1MMP2MMP9
SCHEMBL24276659 0.89 DGAT1 (0.43) DGAT1MMP2MMP9MMP8MMP13
SCHEMBL21118075 0.89 DGAT1 (0.52) DGAT1
SCHEMBL21118027 0.89 DGAT1 (0.52) DGAT1
SCHEMBL27269271 0.87 GBA1 (0.39) DGAT1ABCB1NCF1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230310551-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME LLC (US) 2023-10-05 US disclosed
US-20170355743-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-12-14 US disclosed
US-20170107268-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-04-20 US disclosed
WO-2016081670-A2 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2016-05-26 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 (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-20170355743-A1 INSULIN RECEPTOR PARTIAL AGONISTS INSR, GPR119, IRS1 DGAT1 1239/4885ABCC1 2642/4885ABCG2 2508/4885
US-20170107268-A1 INSULIN RECEPTOR PARTIAL AGONISTS INSR, GPR119, IRS1 DGAT1 1239/4885ABCC1 2642/4885ABCG2 2508/4885
US-20230310551-A1 INSULIN RECEPTOR PARTIAL AGONISTS INSR, GPR119, IRS1 DGAT1 1239/4885ABCC1 2642/4885ABCG2 2508/4885

“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.