SCHEMBL6078061

SCHEMBL6078061

NC(=O)CN1CC(C(=O)O)=C(O)C1=O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
APEX1 P27695 1/20 0.39
BLM P54132 1/20 0.39
LIPG Q9Y5X9 4/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRL1 P41146 1/20 0.30

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
SCHEMBL6076712 0.83 L3MBTL1 (0.38) TSHRLIPG
SCHEMBL6077439 0.79 LIPG (0.35) TSHRLIPG
SCHEMBL6077755 0.78 LIPG (0.49) LIPGKMT2A
SCHEMBL6077545 0.74 LIPG (0.38) LIPG
SCHEMBL6078314 0.73 LIPG (0.40) LIPG
SCHEMBL6078954 0.73 SMN1; SMN2 (0.47) TSHRRAB9AKMT2AOPRM1OPRL1
SCHEMBL6076616 0.72 L3MBTL1 (0.37) LIPG
SCHEMBL6078249 0.71 PARP1 (0.45) LIPGKMT2A
SCHEMBL7212684 0.71 LIPG (0.54) LIPGKMT2A
SCHEMBL6076843 0.70 LIPG (0.34) LIPG

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-7109186-B2 4-hydroxy-5-oxo-1-(2-[4-methylpiperazin-1-yl]ethyl)-2,5-dihydro-1H-pyrrole-3-carboxylic acid (3,4-dichlorobenzyl)-methyl-amide for human immunodeficiency virus (HIV) treatment BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-19 US disclosed
US-20040110804-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-06-10 US disclosed
WO-2004004657-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-01-15 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-20040110804-A1 HIV integrase inhibitors CDKN1A, SAMHD1, CTCF TSHR 4830/4885APEX1 417/4885BLM 3799/4885

“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.