SCHEMBL7550159

SCHEMBL7550159

CCCC(=O)OCC1OCCS1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.44
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LPAR1 Q92633 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33

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
SCHEMBL15019997 0.79 NR1I2 (0.46) ALDH1A1
SCHEMBL5426437 0.79 NLRP3 (0.39) NLRP3LMNAPOLBALDH1A1
SCHEMBL30765414 0.77 NLRP3 (0.50) NLRP3LMNAPOLBALDH1A1LPAR1
SCHEMBL21662426 0.74 NLRP3 (0.40) NLRP3LMNAPOLBALDH1A1LPAR1
SCHEMBL12125349 0.74 NLRP3 (0.40) NLRP3LMNAPOLBALDH1A1LPAR1
SCHEMBL29045575 0.74 LMNA (0.62) NLRP3LMNAPOLBALDH1A1LPAR1
SCHEMBL873613 0.73 LMNA (0.76) LMNAPOLBALDH1A1
SCHEMBL12224209 0.73 NLRP3 (0.39) NLRP3LMNAPOLBALDH1A1LPAR1
SCHEMBL12662616 0.73 NLRP3 (0.45) NLRP3LMNAPOLBALDH1A1LPAR1
SCHEMBL1842777 0.73 NLRP3 (0.45) NLRP3LMNAPOLBALDH1A1LPAR1

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-1180104-A1 METHODS OF SEPARATING FTC ISOMERS AND DERIVATIVES THEREOF Pharm-Eco Laboratories Inc. (US) 2002-02-20 EP claimed
WO-2000071539-A1 METHODS OF SEPARATING FTC ISOMERS AND DERIVATIVES THEREOF PHARM-ECO LABORATORIES INC. (US) 2000-11-30 WO claimed
US-20110257396-A1 PROCESS FOR THE MANUFACTURE OF CIS(-)-LAMIVUDINE LUPIN LIMITED (IN) 2011-10-20 US disclosed
EP-1180104-A1 METHODS OF SEPARATING FTC ISOMERS AND DERIVATIVES THEREOF Pharm-Eco Laboratories Inc. (US) 2002-02-20 EP disclosed
WO-2000071539-A1 METHODS OF SEPARATING FTC ISOMERS AND DERIVATIVES THEREOF PHARM-ECO LABORATORIES INC. (US) 2000-11-30 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-20110257396-A1 PROCESS FOR THE MANUFACTURE OF CIS(-)-LAMIVUDINE TYMS, TYMP, SAMHD1 NLRP3 3472/4885LMNA 643/4885POLB 10/4885

“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.