SCHEMBL2630592

SCHEMBL2630592

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
MAPK1 P28482 1/20 0.42
BTK Q06187 1/20 0.36
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
CTSS P25774 2/20 0.34
CTSK P43235 2/20 0.34
ALDH1A1 P00352 1/20 0.33
EPHX2 P34913 1/20 0.33
CACNA1H O95180 1/20 0.33
GAA P10253 3/20 0.33
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
EPHX1 P07099 1/20 0.32

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
SCHEMBL27872243 0.84 MEN1 (0.43) KMT2AMEN1MAPK1BTKNFKB1
SCHEMBL4643135 0.84 MEN1 (0.43) KMT2AMEN1MAPK1BTKNFKB1
SCHEMBL28564855 0.80 KMT2A (0.40) KMT2AMEN1MAPK1BTKNFKB1
SCHEMBL2630591 0.80 KMT2A (0.40) KMT2AMEN1MAPK1NFKB1NFKB2
SCHEMBL12891851 0.79 KMT2A (0.39) KMT2AMEN1MAPK1BTKCTSS
SCHEMBL1636182 0.79 KMT2A (0.39) KMT2AMEN1MAPK1BTKCTSS
SCHEMBL6838872 0.79 MEN1 (0.39) KMT2AMEN1MAPK1BTKNFKB1
SCHEMBL1687973 0.79 KMT2A (0.39) KMT2AMEN1MAPK1BTKCTSS
SCHEMBL6838875 0.79 MEN1 (0.39) KMT2AMEN1MAPK1BTKNFKB1
SCHEMBL1635700 0.79 KMT2A (0.39) KMT2AMEN1MAPK1BTKNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163921-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-24 US disclosed
US-7964560-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-21 US disclosed
US-7888464-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-15 US disclosed
US-20090304626-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-12-10 US disclosed
US-20090274648-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-11-05 US disclosed
US-20090274652-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-11-05 US disclosed
US-7323447-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-29 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 (3 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-20090304626-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, PYGL KMT2A 4486/4885MEN1 4801/4885MAPK1 3159/4885
US-20090274652-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, PYGL KMT2A 4486/4885MEN1 4801/4885MAPK1 3159/4885
US-20090274648-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, PYGL KMT2A 4486/4885MEN1 4801/4885MAPK1 3159/4885

“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.