SCHEMBL636110

SCHEMBL636110

CC(C)(C)[C@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 13/20 0.55
EPHX1 P07099 1/20 0.55
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
MAPK1 P28482 1/20 0.49
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL636111 1.00 EPHX2 (0.55) EPHX2EPHX1KMT2AMEN1MAPK1
SCHEMBL636702 0.85 EPHX2 (0.51) EPHX2EPHX1KMT2AMEN1MAPK1
SCHEMBL636701 0.85 EPHX2 (0.51) EPHX2EPHX1KMT2AMEN1MAPK1
SCHEMBL10216951 0.79 L3MBTL1 (0.39) EPHX2EPHX1KMT2AMEN1MAPK1
SCHEMBL14503293 0.76 EPHX2 (0.67) EPHX2EPHX1KMT2AMEN1LMNA
SCHEMBL635478 0.74 NAAA (0.42) KMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL635477 0.74 NAAA (0.42) KMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL3069160 0.73 EPHX2 (1.00) EPHX2EPHX1LMNAHTTL3MBTL1
SCHEMBL22480390 0.73 EPHX2 (0.67) EPHX2EPHX1KMT2AMEN1MAPK1
SCHEMBL13711391 0.71 CA2 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086995-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-02-22 EP disclosed
US-7888464-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-15 US disclosed
US-7888464-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-15 US disclosed
US-7888464-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-15 US disclosed
US-20090274648-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-11-05 US disclosed
US-20090274648-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-11-05 US disclosed
US-20090274648-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-11-05 US disclosed
EP-2086995-A1 HEPATITIS C VIRUS INHIBITORS Brystol-Myers Squibb Company (US) 2009-08-12 EP disclosed
WO-2008064066-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-29 WO disclosed
WO-2008064066-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-29 WO 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-20090274648-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, PYGL EPHX2 2019/4885EPHX1 1709/4885KMT2A 4486/4885

“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.