SCHEMBL7238580

SCHEMBL7238580

CCOC(=O)C=C[C@@H](N)CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
LMNA P02545 4/20 0.43
MDM2 Q00987 2/20 0.43
MDM4 O15151 1/20 0.43
ALDH1A1 P00352 2/20 0.37
THRB P10828 1/20 0.37
CTSL P07711 3/20 0.36
CTSB P07858 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTGS2 P35354 1/20 0.35
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL7238575 1.00 MAPT (0.43) MAPTLMNAMDM2MDM4ALDH1A1
SCHEMBL26294007 0.80 MAPT (0.45) MAPTLMNAMDM2MDM4ALDH1A1
SCHEMBL27429610 0.75 LTA4H (0.54)
SCHEMBL30511413 0.73 MAPT (0.42) MAPTLMNAMDM2MDM4CTSL
SCHEMBL15756462 0.72 MAPT (0.50) MAPTLMNAMDM2MDM4ALDH1A1
SCHEMBL15756460 0.72 MAPT (0.50) MAPTLMNAMDM2MDM4ALDH1A1
SCHEMBL15764578 0.72 MAPT (0.50) MAPTLMNAMDM2MDM4ALDH1A1
SCHEMBL21690121 0.72 LTA4H (0.56)
SCHEMBL28685286 0.72 LTA4H (0.56)
SCHEMBL7850584 0.72 LTA4H (0.56)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6514997-B2 Block the activity of picornaviral 3C protease AGOURON PHARMACEUTICALS, INC. 2003-02-04 US disclosed
EP-1252145-A1 ANTIPICORNAVIRAL COMPOUNDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND MATERIALS FOR THEIR SYNTHESIS AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP disclosed
US-20010047006-A1 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis AGOURON PHARMACEUTICALS, INC. 2001-11-29 US disclosed
WO-2001040189-A1 ANTIPICORNAVIRAL COMPOUNDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND MATERIALS FOR THEIR SYNTHESIS AGOURON PHARMACEUTICALS, INC. (US) 2001-06-07 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-20010047006-A1 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis RNASE1, SERPINB1, RNASEH1 MAPT 2641/4885LMNA 593/4885MDM2 3141/4885

“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.