SCHEMBL6802874

SCHEMBL6802874

CCCCCCCC(=O)CCCCCC/C=C/[C@H](C(=O)N[C@@H](Cc1ccc(C)cc1)C(=O)O)[C@@](O)(CC(=O)O)C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SPTLC1 O15269 1/20 0.76
SPTLC2 O15270 1/20 0.76
FAAH O00519 2/20 0.49
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
MME P08473 3/20 0.41
ACE P12821 3/20 0.41
CPA1 P15085 3/20 0.41
ACE2 Q9BYF1 3/20 0.41
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
SLC6A5 Q9Y345 1/20 0.39
CNR1 P21554 1/20 0.38
EPHX2 P34913 2/20 0.38
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
HSPD1 P10809 1/20 0.36
BLM P54132 1/20 0.36
HSPE1 P61604 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
SCHEMBL14190628 0.97 SPTLC1 (0.73) SPTLC1SPTLC2FAAHCYP3A4CYP2C9
SCHEMBL14190621 0.95 SPTLC1 (0.77) SPTLC1SPTLC2FAAHCYP3A4CYP2C9
SCHEMBL6748282 0.93 SPTLC1 (0.76) SPTLC1SPTLC2FAAHCYP3A4CYP2C9
SCHEMBL10082711 0.93 SPTLC1 (0.76) SPTLC1SPTLC2FAAHCYP3A4CYP2C9
SCHEMBL31618543 0.93 SPTLC1 (0.75) SPTLC1SPTLC2FAAHMMEACE
SCHEMBL14190672 0.92 SPTLC1 (0.75) SPTLC1SPTLC2FAAHMMEACE
SCHEMBL14190669 0.92 SPTLC1 (0.75) SPTLC1SPTLC2FAAHCYP3A4CYP2C9
SCHEMBL6804868 0.92 SPTLC1 (0.75) SPTLC1SPTLC2FAAHMMEACE
SCHEMBL6805680 0.92 SPTLC1 (0.75) SPTLC1SPTLC2FAAHCYP3A4CYP2C9
SCHEMBL14190616 0.92 SPTLC1 (0.75) 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 4 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-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.