SCHEMBL8372247

SCHEMBL8372247

C=C[C@@H]1CC1(C=O)NC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
CTSK P43235 3/20 0.33
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
GAA P10253 3/20 0.31
EPHX2 P34913 1/20 0.31
BTK Q06187 1/20 0.31
CACNA1H O95180 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 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
SCHEMBL13330958 1.00 MEN1 (0.38) MEN1MAPK1KMT2ACTSKNFKB1
SCHEMBL13302345 1.00 MEN1 (0.38) MEN1MAPK1KMT2ACTSKNFKB1
SCHEMBL13302346 1.00 MEN1 (0.38) MEN1MAPK1KMT2ACTSKNFKB1
SCHEMBL2630659 1.00 MEN1 (0.38) MEN1MAPK1KMT2ACTSKNFKB1
SCHEMBL22080250 0.81 MEN1 (0.42) MEN1MAPK1KMT2ACTSKNFKB1
SCHEMBL13360948 0.80 KMT2A (0.41) MEN1MAPK1KMT2ACTSKNFKB1
SCHEMBL24981405 0.77 MEN1 (0.39) MEN1MAPK1KMT2ACTSKNFKB1
SCHEMBL13924261 0.77 MEN1 (0.39) MEN1MAPK1KMT2ACTSKNFKB1
SCHEMBL28049898 0.77 MEN1 (0.37) MEN1MAPK1KMT2ACTSKNFKB1
SCHEMBL3361308 0.77 MEN1 (0.37) MEN1MAPK1KMT2ACTSKNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299094-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-30 US disclosed
US-20110311482-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-22 US disclosed
US-7935670-B2 N-(4,6-dimethyl-2-pyridinyl)-L-valyl- N-(1-((cyclopropylsulfonyl)carbamoyl)-2-vinylcyclopropyl)-4-((6-methoxy-1-isoquinolinyl)carboxy)-L-prolinamide; viricide; synergistic with other active ingredients BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-03 US disclosed
US-20090274656-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-11-05 US disclosed
US-7601686-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-13 US disclosed
US-20080107624-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 US disclosed
US-20080107623-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 US disclosed
US-20080107625-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 US disclosed
US-20080014173-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-01-17 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 (6 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-20080107623-A1 Inhibitors of Hepatitis C Virus HAVCR2, HCCS, VIP MEN1 3909/4885MAPK1 2986/4885KMT2A 4411/4885
US-20080107624-A1 Inhibitors of Hepatitis C Virus HAVCR2, MRPS23, HCCS MEN1 3911/4885MAPK1 2938/4885KMT2A 4324/4885
US-20080014173-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, PYGL MEN1 4801/4885MAPK1 3159/4885KMT2A 4486/4885
US-20090274656-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, CTRB1 MEN1 4820/4885MAPK1 2557/4885KMT2A 4052/4885
US-20110311482-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 MEN1 4820/4885MAPK1 2557/4885KMT2A 4052/4885
US-20080107625-A1 Inhibitors of Hepatitis C Virus HAVCR2, HCCS, VIP MEN1 3909/4885MAPK1 2986/4885KMT2A 4411/4885

“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.