SCHEMBL2033654

SCHEMBL2033654

CC(C)c1ccc(C(C)C)c(NC(=O)CN(CC(=O)O)CC(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 13/20 0.46
CA2 P00918 13/20 0.46
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
HIF1A Q16665 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
DRD3 P35462 1/20 0.41
CA4 P22748 2/20 0.41

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
SCHEMBL22897575 0.79 SMN1; SMN2 (0.54)
SCHEMBL29559776 0.79 SMN1; SMN2 (0.54)
Iprofenin SCHEMBL486656 0.79 CA1 (0.58) CA1CA2ALOX15TSHRCYP2C19
SCHEMBL11795645 0.75 GAA (0.47) CYP2C19
Disofenin SCHEMBL135703 0.74 TDP1 (0.64) CA1CA2ALOX15TSHRCYP2C19
Disofenin SCHEMBL29687882 0.73 TDP1 (0.62) CA1CA2ALOX15TSHRCYP2C19
SCHEMBL8461470 0.71 NPC1 (0.52)
SCHEMBL11216296 0.70 PKM (0.39)
SCHEMBL487084 0.69 POLB (0.59) ALOX15TSHRCYP2C19HIF1ATDP1
SCHEMBL487184 0.69 MEN1 (0.66) CA1CA2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8257735-B2 Method of increasing the bioavailability of recombinant human insulin isophane in a patient SDG, Inc (US) 2012-09-04 US disclosed
US-20110135727-A1 Hepatocyte Delivery Vehicle for Delivery of a Combination of Recombinant Human Regular Insulin and Recombinant Human Insulin Isophane to a Mammal SDG, INC. 2011-06-09 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 (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-20110135727-A1 Hepatocyte Delivery Vehicle for Delivery of a Combination of Recombinant Human Regular Insulin and Recombinant Human Insulin Isophane to a Mammal INSR, INSRR, IAPP CA1 895/4885CA2 1276/4885ALOX15 4114/4885

“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.