SCHEMBL13360951

SCHEMBL13360951

CC(C)(C)OC(=O)N[C@]1(CO)C[C@H]1I

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 1/20 0.35
CACNA1H O95180 1/20 0.34
APLNR P35414 1/20 0.34
EPHX1 P07099 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
HSD11B1 P28845 1/20 0.33
EPHX2 P34913 2/20 0.33
HCRTR2 O43614 1/20 0.33

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
SCHEMBL5428985 0.85 MEN1 (0.42) KMT2AMEN1MAPK1TDP1CACNA1H
SCHEMBL13742611 0.85 MEN1 (0.42) KMT2AMEN1MAPK1TDP1CACNA1H
SCHEMBL8089082 0.85 MEN1 (0.42) KMT2AMEN1MAPK1TDP1CACNA1H
SCHEMBL8088306 0.81 KMT2A (0.39) KMT2AMEN1MAPK1TDP1ALDH1A1
SCHEMBL13330960 0.78 MEN1 (0.38) KMT2AMEN1MAPK1TDP1CACNA1H
SCHEMBL22482737 0.78 MEN1 (0.38) KMT2AMEN1MAPK1TDP1CACNA1H
SCHEMBL3312164 0.78 MEN1 (0.38) KMT2AMEN1MAPK1TDP1CACNA1H
SCHEMBL22380433 0.78 APLNR (0.40) KMT2AMEN1MAPK1TDP1CACNA1H
SCHEMBL29675255 0.78 MEN1 (0.38) KMT2AMEN1MAPK1TDP1CACNA1H
SCHEMBL2630592 0.75 KMT2A (0.42) KMT2AMEN1MAPK1ALDH1A1CACNA1H

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-20100113440-A1 PYRIMIDINE SUBSTITUTED MACROCYCLIC HCV INHIBITORS TIBOTEC PHARMACEUTICALS, LTD. (IE) 2010-05-06 US disclosed
US-20100041728-A1 HCV INHIBITING MACROCYCLIC PHENYLCARBAMATES MEDIVIR AB 2010-02-18 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 (2 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-20100041728-A1 HCV INHIBITING MACROCYCLIC PHENYLCARBAMATES COPB1, HAVCR2, NOD1 KMT2A 4465/4885MEN1 4343/4885MAPK1 516/4885
US-20100113440-A1 PYRIMIDINE SUBSTITUTED MACROCYCLIC HCV INHIBITORS NUDT1, PNP, SLC28A1 KMT2A 4374/4885MEN1 4587/4885MAPK1 912/4885

“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.