SCHEMBL9972415

SCHEMBL9972415

CCCCCCCN(C)CCN(C)C(=O)NC(C)(C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 10/20 0.44
KDM5A P29375 9/20 0.44
PHF8 Q9UPP1 2/20 0.44
KDM5C P41229 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
KDM4A O75164 2/20 0.41
S1PR2 O95136 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
S1PR5 Q9H228 1/20 0.41
EPHX2 P34913 4/20 0.39
GGPS1 O95749 2/20 0.38
FDPS P14324 1/20 0.38
AGTR1 P30556 1/20 0.38
OPRM1 P35372 1/20 0.38
PDE3A Q14432 1/20 0.38

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
Bicarbonate SCHEMBL17423695 0.73 S1PR2 (0.61) KDM4CKDM5APHF8KDM5CKDM5B
Bicarbonate SCHEMBL17423696 0.73 S1PR2 (0.61) KDM4CKDM5APHF8KDM5CKDM5B
Bicarbonate SCHEMBL27841131 0.73 S1PR2 (0.61) KDM4CKDM5APHF8KDM5CKDM5B
SCHEMBL31681171 0.73 KDM4C (0.49) KDM4CKDM5APHF8KDM5CKDM5B
SCHEMBL25806217 0.72 S1PR2 (0.52) KDM4CKDM5APHF8KDM5CKDM5B
SCHEMBL31681320 0.71 KDM4C (0.47) KDM4CKDM5APHF8KDM5CKDM5B
SCHEMBL31681321 0.71 KDM4C (0.47) KDM4CKDM5APHF8KDM5CKDM5B
Acetic Acid SCHEMBL6859754 0.71 S1PR2 (0.59) KDM4CKDM5APHF8KDM5CKDM5B
Acetic Acid SCHEMBL18237030 0.71 S1PR2 (0.59) KDM4CKDM5APHF8KDM5CKDM5B
Acetic Acid SCHEMBL9782786 0.71 S1PR2 (0.59) KDM4CKDM5APHF8KDM5CKDM5B

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 6 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-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-20120183616-A1 LONG ACTING INSULIN COMPOSITION SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-07-19 US disclosed
US-20120184489-A1 PRODRUGS COMPRISING AN INSULIN LINKER CONJUGATE 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

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 KDM4C 2224/4885KDM5A 2517/4885PHF8 1874/4885
US-20120156259-A1 Biodegradable Polyethylene Glycol Based Water-Insoluble Hydrogels PLG, PHYKPL, PLOD3 KDM4C 780/4885KDM5A 750/4885PHF8 477/4885
US-20120184489-A1 PRODRUGS COMPRISING AN INSULIN LINKER CONJUGATE IAPP, IGF1R, INSR KDM4C 2224/4885KDM5A 2517/4885PHF8 1874/4885
US-20120183616-A1 LONG ACTING INSULIN COMPOSITION IAPP, INSR, GPR119 KDM4C 3647/4885KDM5A 3453/4885PHF8 4603/4885

“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.