SCHEMBL9972444

SCHEMBL9972444

CC(C)(C)CCC(=O)NCCOCCOCCC(=O)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CA12 O43570 4/20 0.35
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
CA4 P22748 4/20 0.35
CA9 Q16790 4/20 0.35
CA14 Q9ULX7 4/20 0.35
TSHR P16473 1/20 0.34
SIGMAR1 Q99720 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 1/20 0.31
CACNA1H O95180 1/20 0.31

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
SCHEMBL25890732 1.00 KMT2A (0.38) KMT2AMEN1CA12CA1CA2
SCHEMBL26504466 0.98 KMT2A (0.35) KMT2AMEN1CA12CA1CA2
SCHEMBL21579901 0.92 MEN1 (0.37) KMT2AMEN1CA12CA1CA2
SCHEMBL24193595 0.89 MEN1 (0.37) KMT2AMEN1CA12CA1CA2
SCHEMBL21099929 0.89 KMT2A (0.39) KMT2AMEN1CA12CA1CA2
SCHEMBL26504470 0.88 TSHR (0.39) TSHRSMN1; SMN2HPGD
SCHEMBL14453753 0.88 CA12 (0.38) KMT2AMEN1CA12CA1CA2
SCHEMBL25746260 0.87 MEN1 (0.42) KMT2AMEN1CA12CA1CA2
SCHEMBL25892281 0.87 MEN1 (0.35) KMT2AMEN1CA12CA1CA2
SCHEMBL23157466 0.86 CASP2 (0.43) KMT2AMEN1CA12CA1CA2

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
US-9457066-B2 Prodrugs comprising an insulin linker conjugate SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2016-10-04 US disclosed
US-9457066-B2 Prodrugs comprising an insulin linker conjugate SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2016-10-04 US disclosed
US-9138462-B2 Prodrugs comprising an insulin linker conjugate SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2015-09-22 US disclosed
US-9138462-B2 Prodrugs comprising an insulin linker conjugate SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2015-09-22 US disclosed
US-20150258207-A1 PRODRUGS COMPRISING AN INSULIN LINKER CONJUGATE SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2015-09-17 US disclosed
US-20150258207-A1 PRODRUGS COMPRISING AN INSULIN LINKER CONJUGATE SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2015-09-17 US disclosed
US-9133276-B2 Prodrugs comprising an exendin linker conjugate SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2015-09-15 US disclosed
US-9133276-B2 Prodrugs comprising an exendin linker conjugate SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2015-09-15 US disclosed
US-20120184489-A1 PRODRUGS COMPRISING AN INSULIN LINKER CONJUGATE SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-07-19 US disclosed
US-20120183616-A1 LONG ACTING INSULIN COMPOSITION SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-07-19 US disclosed
US-20120183616-A1 LONG ACTING INSULIN COMPOSITION SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-07-19 US disclosed
US-20120156259-A1 Biodegradable Polyethylene Glycol Based Water-Insoluble Hydrogels ASCENDIS PHARMA A/S (DK) 2012-06-21 US disclosed
US-20120156259-A1 Biodegradable Polyethylene Glycol Based Water-Insoluble Hydrogels ASCENDIS PHARMA A/S (DK) 2012-06-21 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-20150258207-A1 PRODRUGS COMPRISING AN INSULIN LINKER CONJUGATE IAPP, IGF1R, INSR KMT2A 1601/4885MEN1 196/4885CA12 1487/4885
US-20120156259-A1 Biodegradable Polyethylene Glycol Based Water-Insoluble Hydrogels PLG, PHYKPL, PLOD3 KMT2A 3136/4885MEN1 4821/4885CA12 2730/4885
US-20120184489-A1 PRODRUGS COMPRISING AN INSULIN LINKER CONJUGATE IAPP, IGF1R, INSR KMT2A 1601/4885MEN1 196/4885CA12 1487/4885
US-20120183616-A1 LONG ACTING INSULIN COMPOSITION IAPP, INSR, GPR119 KMT2A 3575/4885MEN1 118/4885CA12 4408/4885

“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.