SCHEMBL5692686

SCHEMBL5692686

COc1ccc2c(OC3CC(C(=O)O)N(C(=O)C(N)C(C)C)C3)cc(-c3ccccc3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TACR3 P29371 8/20 0.44
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PLA2G2A P14555 1/20 0.39
MAPT P10636 2/20 0.39
CTSB P07858 1/20 0.39
ACACA Q13085 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL4981286 0.91 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2TACR3MEN1
SCHEMBL4556318 0.88 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2TACR3MEN1
SCHEMBL8505490 0.88 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2TACR3MEN1
SCHEMBL3155976 0.87 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2TACR3MEN1
SCHEMBL3045119 0.87 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2TACR3MEN1
SCHEMBL5692627 0.87 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2TACR3MEN1
SCHEMBL10139786 0.86 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2TACR3PLA2G2A
SCHEMBL3046761 0.84 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2TACR3PLA2G2A
SCHEMBL4442734 0.84 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2TACR3PLA2G2A
SCHEMBL3046769 0.84 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2TACR3PLA2G2A

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 3925/4885ALDH1A1 3255/4885SMN1; SMN2 4835/4885

“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.