SCHEMBL4098800

SCHEMBL4098800

O=C(O)N[C@@H](CC1CCC1)C(O)C(=O)NC1CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 6/20 0.41
KMT2A Q03164 2/20 0.38
PPM1D O15297 1/20 0.36
METAP2 P50579 3/20 0.35
CCR1 P32246 2/20 0.35
METAP1 P53582 2/20 0.34
EPHX1 P07099 1/20 0.33
HPGD P15428 1/20 0.33
REN P00797 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
LTA4H P09960 1/20 0.32

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
SCHEMBL12401954 0.83 KMT2A (0.39) CPB2KMT2AMETAP2CCR1METAP1
SCHEMBL742779 0.80 CTSS (0.50) KMT2AEPHX1RENCTSSCTSK
SCHEMBL3725538 0.80 CTSS (0.50) KMT2AEPHX1RENCTSSCTSK
SCHEMBL13737104 0.80 CPB2 (0.55) CPB2KMT2APPM1DCCR1EPHX1
SCHEMBL14975157 0.80 L3MBTL1 (0.43) KMT2AEPHX1HPGD
SCHEMBL3330425 0.80 METAP2 (0.36) METAP2CCR1METAP1EPHX1REN
SCHEMBL6477536 0.79 ALDH1A1 (0.43) CPB2KMT2AMETAP2METAP1REN
SCHEMBL6477529 0.79 ALDH1A1 (0.43) CPB2KMT2AMETAP2METAP1REN
SCHEMBL2008481 0.77 ALDH1A1 (0.51) KMT2AEPHX1RENCTSSCTSK
SCHEMBL3729020 0.77 SMN1; SMN2 (0.38) KMT2AEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211897-B2 Inhibitors of cathepsin B VIROBAY, INC. (US) 2012-07-03 US disclosed
US-20090203629-A1 INHIBITORS OF CATHEPSIN B VIROBAY, INC. (US) 2009-08-13 US disclosed
US-20080161254-A1 HCV INHIBITORS VIROBAY, INC. (US) 2008-07-03 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 (2 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-20080161254-A1 HCV INHIBITORS HAVCR2, ZC3HAV1, EIF2AK2 CPB2 758/4885KMT2A 4134/4885PPM1D 1345/4885
US-20090203629-A1 INHIBITORS OF CATHEPSIN B CTSB, CSTB, CTSF CPB2 44/4885KMT2A 4689/4885PPM1D 4313/4885

“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.