SCHEMBL4090552

SCHEMBL4090552

CC(C)(C)OC(=O)c1ccc(CCCCCCCCCCC(=O)NCCCC(=O)ON2C(=O)CCC2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
NAMPT P43490 2/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL4076440 0.96 ITGB3 (0.42) CA1CA2ITGB3ITGA2BSIGMAR1
SCHEMBL1743025 0.91 CYP4A11 (0.39) SMN1; SMN2HTR1AHTR7
SCHEMBL2925326 0.82 CNR1 (0.42) HPGDHTTSMN1; SMN2
SCHEMBL1744284 0.82 LMNA (0.54) CA1CA2ITGB3ITGA2B
SCHEMBL3474501 0.80 TDP1 (0.47) CA1CA2HPGDHTTSMN1; SMN2
SCHEMBL22402873 0.80 TDP1 (0.47) CA1CA2HPGDHTTSMN1; SMN2
SCHEMBL4190503 0.79 KMT2A (0.37) ITGB3ITGA2BHRH3HTR1AHTR7
SCHEMBL4186571 0.79 KMT2A (0.37) ITGB3ITGA2BHRH3HTR1AHTR7
SCHEMBL11914021 0.79 HTR1A (0.49) CA1CA2HPGDHTTHTR1A
SCHEMBL31502348 0.78 NAAA (0.38) SMN1; SMN2

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-8933021-B2 Insulin derivative NOVO NORDISK A/S (DK) 2015-01-13 US disclosed
US-8796205-B2 Insulin derivative NOVO NORDISK A/S (DK) 2014-08-05 US disclosed
US-20090239785-A1 Insulin Derivative NOVO NORDISK A/S (DK) 2009-09-24 US disclosed
EP-2015770-A2 INSULIN DERIVATIVE Novo Nordisk A/S (DK) 2009-01-21 EP disclosed
WO-2007128817-A2 INSULIN DERIVATIVE NOVO NORDISK A/S (DK) 2007-11-15 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 (1 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-20090239785-A1 Insulin Derivative IAPP, INSR, GPR119 CA1 3889/4885CA2 1248/4885ITGB3 4146/4885

“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.