SCHEMBL2533715

SCHEMBL2533715

O=C(CCOC(=O)c1ccccc1)OC1OCCS1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36

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
SCHEMBL9066818 0.82 BCHE (0.43) LMNAKMT2AALDH1A1
SCHEMBL5216010 0.81 TDP1 (0.50) TDP1LMNASMN1; SMN2MAPK1HIF1A
SCHEMBL1087819 0.72 TDP1 (0.45) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL1087816 0.72 TDP1 (0.45) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL1088261 0.72 TDP1 (0.45) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL16802312 0.70 TDP1 (0.50) TDP1LMNASMN1; SMN2KMT2AALDH1A1
SCHEMBL582774 0.69 TDP1 (0.70) TDP1LMNASMN1; SMN2MAPK1HIF1A
SCHEMBL10974892 0.68 LMNA (0.66) TDP1LMNASMN1; SMN2MAPK1HIF1A
SCHEMBL137486 0.68 TDP1 (0.83) TDP1LMNASMN1; SMN2MAPK1HIF1A
SCHEMBL6935004 0.67 TDP1 (0.68) TDP1LMNASMN1; SMN2MAPK1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110257396-A1 PROCESS FOR THE MANUFACTURE OF CIS(-)-LAMIVUDINE LUPIN LIMITED (IN) 2011-10-20 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 (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 TDP1 1469/4885LMNA 643/4885SMN1; SMN2 3179/4885

“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.