SCHEMBL6748227

SCHEMBL6748227

CCCCCCCC(=O)CCCCCC/C=C/[C@H](C(=O)N[C@@H](Cc1cccs1)C(=O)O)[C@@](O)(CC(=O)O)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SPTLC1 O15269 2/20 0.64
SPTLC2 O15270 2/20 0.64
FAAH O00519 2/20 0.43
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC6A5 Q9Y345 1/20 0.37
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
FNTA P49354 2/20 0.36
FNTB P49356 2/20 0.36
PGGT1B P53609 2/20 0.36
EPHX2 P34913 2/20 0.36
FOLH1 Q04609 2/20 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
SCHEMBL31618543 0.87 SPTLC1 (0.75) SPTLC1SPTLC2FAAHEPHX2
SCHEMBL14190668 0.85 SPTLC1 (0.75) SPTLC1SPTLC2FAAH
SCHEMBL6804868 0.85 SPTLC1 (0.75) SPTLC1SPTLC2FAAH
SCHEMBL14190672 0.85 SPTLC1 (0.75) SPTLC1SPTLC2FAAH
SCHEMBL6748282 0.84 SPTLC1 (0.76) SPTLC1SPTLC2FAAHCYP3A4CYP2C9
SCHEMBL10082711 0.84 SPTLC1 (0.76) SPTLC1SPTLC2FAAHCYP3A4CYP2C9
SCHEMBL6802874 0.84 SPTLC1 (0.76) SPTLC1SPTLC2FAAHCYP3A4CYP2C9
SCHEMBL6804494 0.83 SPTLC1 (0.73) SPTLC1SPTLC2FAAHCYP1A2CYP3A4
SCHEMBL12641489 0.83 SPTLC1 (0.73) SPTLC1SPTLC2FAAHCYP1A2CYP3A4
SCHEMBL14190638 0.83 SPTLC1 (0.73) SPTLC1SPTLC2FAAHCYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183005-B1 Pharmaceutical agents for treating HCV infections CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-05-22 US disclosed
US-8183005-B1 Pharmaceutical agents for treating HCV infections CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-05-22 US disclosed
US-20110160252-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OR PREVENTION OF HBV INFECTION PUBLIC UNIVERSITY CORPORATION NAGOYA CITY UNIVERSITY (JP) 2011-06-30 US disclosed
US-20110160252-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OR PREVENTION OF HBV INFECTION PUBLIC UNIVERSITY CORPORATION NAGOYA CITY UNIVERSITY (JP) 2011-06-30 US disclosed
US-7378446-B2 Compound having anti-HCV activity and process for producing the same CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-05-27 US disclosed
US-7378446-B2 Compound having anti-HCV activity and process for producing the same CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-05-27 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-20110160252-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OR PREVENTION OF HBV INFECTION IFNG, HDGF, HAVCR2 SPTLC1 4049/4885SPTLC2 4400/4885FAAH 2496/4885

“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.