SCHEMBL10171070

SCHEMBL10171070

NC(CO)(CO)c1ccc(I)cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.34
CYP3A4 P08684 2/20 0.33
IDO1 P14902 2/20 0.33
SLC22A2 O15244 1/20 0.33
SLC22A1 O15245 1/20 0.33
SLC22A3 O75751 1/20 0.33
APP P05067 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
TPMT P51580 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL13084370 0.87 MEN1 (0.37)
SCHEMBL1656503 0.78 MAPT (0.40) KIF11CYP3A4
SCHEMBL2568927 0.76 KCNN4 (0.45) KIF11CYP3A4SLC22A2SLC22A1SLC22A3
SCHEMBL6047551 0.75 KCNN4 (0.50) KIF11
SCHEMBL4452093 0.74 APP (0.39) KIF11CYP3A4APP
SCHEMBL4452443 0.74 APP (0.39) KIF11CYP3A4APP
SCHEMBL4450235 0.74 APP (0.39) KIF11CYP3A4APP
SCHEMBL13666515 0.73 CNR1 (0.43) CYP3A4APPTRPV1
SCHEMBL665034 0.71 APP (0.40) CYP3A4APPTRPV1
SCHEMBL17080489 0.71 TRPV1 (0.39) KIF11APPTRPV1TPMTCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 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-20120034270-A1 S1P Receptors Modulators S1PR1, S1PR5, S1PR3 KIF11 2384/4885CYP3A4 4526/4885IDO1 1305/4885

“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.