SCHEMBL14769740

SCHEMBL14769740

CC(=O)CC(S)CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.43
ALDH1A1 P00352 2/20 0.43
SLC22A6 Q4U2R8 1/20 0.39
LMNA P02545 4/20 0.38
SLC15A2 Q16348 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 2/20 0.34
ALOX15 P16050 1/20 0.34
GABRR1 P24046 2/20 0.33
PTGS2 P35354 1/20 0.33
CACNA2D1 P54289 2/20 0.32
CACNB3 P54284 1/20 0.32
CACNA1C Q13936 1/20 0.32
PGR P06401 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
CACNA2D2 Q9NY47 1/20 0.32
RNPEP Q9H4A4 1/20 0.32
KDM4E B2RXH2 1/20 0.32
KDM6B O15054 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
SCHEMBL2811956 0.86 SLC22A6 (0.50) TDP1ALDH1A1SLC22A6LMNASMN1; SMN2
SCHEMBL6740877 0.83 SLC22A6 (0.47) TDP1ALDH1A1SLC22A6LMNASMN1; SMN2
SCHEMBL12165480 0.76
SCHEMBL10553066 0.76
SCHEMBL869031 0.76
SCHEMBL22338611 0.75 SLC22A6 (0.45) TDP1ALDH1A1SLC22A6LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL7710602 0.74
1,4-Dimethoxybenzene SCHEMBL11828517 0.73 LDHA (0.56)
SCHEMBL6890278 0.72
SCHEMBL28363512 0.72 TDP1 (0.48) TDP1ALDH1A1SLC22A6LMNASLC15A2

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-9757407-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2017-09-12 US disclosed
US-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS UNIV PRINCETON (US) 2016-12-01 US disclosed
US-9029413-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2015-05-12 US disclosed
US-20130065850-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2013-03-14 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-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 TDP1 1761/4885ALDH1A1 1469/4885SLC22A6 957/4885
US-20130065850-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 TDP1 1761/4885ALDH1A1 1469/4885SLC22A6 957/4885

“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.