SCHEMBL4420337

SCHEMBL4420337

C=C[C@H](NC(=O)C(Cl)(Cl)Cl)C1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
MMP2 P08253 2/20 0.33
CA9 Q16790 2/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
EPHX1 P07099 6/20 0.32
ALDH1A1 P00352 3/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP3A4 P08684 1/20 0.31
EPHX2 P34913 1/20 0.31
GAA P10253 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
SCHEMBL4409957 1.00 CA12 (0.33) CA12CA1CA2MMP2CA9
SCHEMBL28055190 0.71 GAA (0.42) CA1CA2EPHX1SMN1; SMN2GAA
SCHEMBL2899303 0.69
SCHEMBL23051982 0.67 TSHR (0.31)
SCHEMBL9418806 0.67 ADH1B (0.41) EPHX1ALDH1A1NPSR1
SCHEMBL10917909 0.66 EPHX1 (0.56) CA12CA1CA2MMP2CA9
SCHEMBL20204387 0.66 SHBG (0.34) EPHX1ALDH1A1NPSR1
SCHEMBL20325309 0.66 ALDH1A1 (0.31) ALDH1A1NPSR1
SCHEMBL4126245 0.65 TSHR (0.37)
SCHEMBL18647223 0.64 SHBG (0.31)

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-7863443-B2 Phosphoramidite ligand and production method of allylic amine using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-04 US disclosed
US-20090054689-A1 PHOSPHORAMIDITE LIGAND AND PRODUCTION METHOD OF ALLYLIC AMINE USING THE SAME Carreira, Erick M. (CH) 2009-02-26 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-20090054689-A1 PHOSPHORAMIDITE LIGAND AND PRODUCTION METHOD OF ALLYLIC AMINE USING THE SAME ADH5, SELENOI, ADH1A CA12 1365/4885CA1 808/4885CA2 1833/4885

“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.