SCHEMBL1284274

SCHEMBL1284274

NC1CCN(C(=O)O)C1=O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.54
TSHR P16473 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
MAPT P10636 1/20 0.54
APEX1 P27695 1/20 0.54
DPP4 P27487 6/20 0.44
ACE P12821 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL2689161 0.76 MAPT (0.47) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL14277156 0.76 MAPT (0.47) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL29209659 0.74 CDC42 (0.33) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL11405175 0.74 CDC42 (0.33) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL17977068 0.74 ACE (0.31) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL17491127 0.74 PIK3CD (0.41) CYP3A4TSHRTDP1MAPTAPEX1
Ammonia Solution, Strong SCHEMBL28819769 0.72 PIK3CD (0.40) ACE
SCHEMBL4102268 0.72 KDM1A (0.45) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL18601635 0.72 KDM1A (0.45) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL253915 0.70

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-20120088698-A1 WATER IN OIL EMULSION, METHOD FOR THE PRODUCTION THEREOF CLARIANT FINANCE (BVI) LIMITED (VG) 2012-04-12 US disclosed
CN-101490041-A 2-heterocycloamino-4-imidazolylpyrimidines as agents for the inhibition of cell proliferation ASTRAZENECA AB (SE) 2009-07-22 CN 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-20120088698-A1 WATER IN OIL EMULSION, METHOD FOR THE PRODUCTION THEREOF H1-0, H1-3, H1-2 CYP3A4 3420/4885TSHR 2697/4885TDP1 4163/4885

“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.