SCHEMBL14769743

SCHEMBL14769743

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 0.37
GABRR1 P24046 2/20 0.36
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 3/20 0.35
GPR84 Q9NQS5 4/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ALOX15 P16050 2/20 0.33
ABCB11 O95342 1/20 0.33
F2 P00734 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
DUSP3 P51452 1/20 0.33
PTPN5 P54829 1/20 0.33
PTPN11 Q06124 1/20 0.33
CYP2C9 P11712 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
SCHEMBL1012555 0.77
SCHEMBL14769738 0.75 SLC22A6 (0.46) SLC22A6SMN1; SMN2MAPTGABRR1LMNA
SCHEMBL4721742 0.73 SLC22A6 (0.62) SLC22A6SMN1; SMN2MAPTGABRR1LMNA
SCHEMBL5437765 0.73 SLC22A6 (0.62) SLC22A6SMN1; SMN2MAPTGABRR1LMNA
SCHEMBL3902208 0.73 SLC22A6 (0.62) SLC22A6SMN1; SMN2MAPTGABRR1LMNA
SCHEMBL14769746 0.71 SMN1; SMN2 (0.44) SLC22A6SMN1; SMN2MAPTGABRR1LMNA
Acetic Acid SCHEMBL10630077 0.70 RNPEP (0.48) SLC22A6SMN1; SMN2MAPTLMNATDP1
SCHEMBL1405742 0.70
SCHEMBL1079959 0.69
SCHEMBL1235355 0.69

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 SLC22A6 957/4885SMN1; SMN2 2585/4885MAPT 2526/4885
US-20130065850-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 SLC22A6 957/4885SMN1; SMN2 2585/4885MAPT 2526/4885

“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.