SCHEMBL636701

SCHEMBL636701

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

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.51
EPHX1 P07099 2/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL636702 1.00 EPHX2 (0.51) EPHX2EPHX1MEN1KMT2AMAPK1
SCHEMBL636111 0.85 EPHX2 (0.55) EPHX2EPHX1MEN1KMT2AMAPK1
SCHEMBL636110 0.85 EPHX2 (0.55) EPHX2EPHX1MEN1KMT2AMAPK1
SCHEMBL74929 0.81 EPHX2 (0.53) EPHX2EPHX1MEN1KMT2AL3MBTL1
SCHEMBL635480 0.77 NAAA (0.41) MEN1KMT2AMAPK1ALDH1A1LMNA
SCHEMBL635481 0.77 NAAA (0.41) MEN1KMT2AMAPK1ALDH1A1LMNA
SCHEMBL75158 0.74 SMN1; SMN2 (0.49) EPHX2EPHX1MEN1KMT2AL3MBTL1
SCHEMBL75157 0.74 SMN1; SMN2 (0.49) EPHX2EPHX1MEN1KMT2AL3MBTL1
SCHEMBL14503293 0.74 EPHX2 (0.67) EPHX2EPHX1MEN1KMT2AL3MBTL1
SCHEMBL75579 0.73 EPHX2 (0.58) EPHX2EPHX1KMT2AMAPK1L3MBTL1

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 1709/4885MEN1 4801/4885

“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.