SCHEMBL5693312

SCHEMBL5693312

COC(=O)C1CC(Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)CN1C(=O)C(N)(C(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
PLA2G2A P14555 2/20 0.40
TACR3 P29371 8/20 0.39
TDP1 Q9NUW8 3/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CTSB P07858 1/20 0.37
UCHL1 P09936 1/20 0.37
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
BACE1 P56817 1/20 0.36

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
SCHEMBL6402572 0.91 KDM4E (0.43) KDM4ESMN1; SMN2ALDH1A1PLA2G2ATACR3
SCHEMBL8275065 0.87 KDM4E (0.48) KDM4ESMN1; SMN2ALDH1A1PLA2G2ATACR3
SCHEMBL13123350 0.87 KDM4E (0.48) KDM4ESMN1; SMN2ALDH1A1PLA2G2ATACR3
SCHEMBL5693283 0.86 ABCC1 (0.38) KDM4ESMN1; SMN2ALDH1A1TACR3CTSB
SCHEMBL5693315 0.84 KDM4E (0.41) KDM4ESMN1; SMN2ALDH1A1PLA2G2ATACR3
SCHEMBL14094641 0.84 KDM4E (0.53) KDM4ESMN1; SMN2ALDH1A1PLA2G2ATACR3
SCHEMBL5692538 0.84 KDM4E (0.42) KDM4ESMN1; SMN2ALDH1A1PLA2G2ATACR3
SCHEMBL8354909 0.83 CYP3A4 (0.45) KDM4ESMN1; SMN2ALDH1A1PLA2G2ATACR3
SCHEMBL4981257 0.83 CYP3A4 (0.45) KDM4ESMN1; SMN2ALDH1A1PLA2G2ATACR3
SCHEMBL6402575 0.83 KDM4E (0.41) KDM4ESMN1; SMN2ALDH1A1PLA2G2ATACR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1337550-B1 HEPATITIS C TRIPEPTIDE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-05-24 EP disclosed
US-6872805-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-29 US disclosed
EP-1337550-A2 HEPATITIS C TRIPEPTIDE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-08-27 EP disclosed
US-20020111313-A1 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2002-08-15 US disclosed
WO-2002060926-A2 HEPATITIS C TRIPEPTIDE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-08 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-20020111313-A1 Hepatitis C virus inhibitors HAVCR2, ZC3HAV1, VIP KDM4E 3925/4885SMN1; SMN2 4835/4885ALDH1A1 3255/4885

“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.