SCHEMBL10149758

SCHEMBL10149758

CCCCCCCOC(=O)[C@H](C)NCl

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.52
NAAA Q02083 1/20 0.50
TSHR P16473 4/20 0.46
FAAH O00519 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
ACHE P22303 6/20 0.46
NPSR1 Q6W5P4 1/20 0.44
ZDHHC7 Q9NXF8 1/20 0.44
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL18697735 1.00 EPHX1 (0.52) EPHX1NAAATSHRFAAHALDH1A1
SCHEMBL19014920 0.98 EPHX1 (0.48) EPHX1NAAATSHRFAAHALDH1A1
SCHEMBL13633220 0.92 NPSR1 (0.50) EPHX1TSHRALDH1A1LMNAACHE
SCHEMBL116383 0.85 EPHX1 (0.55) EPHX1NAAATSHRFAAHALDH1A1
SCHEMBL1744362 0.85 EPHX1 (0.55) EPHX1NAAATSHRFAAHALDH1A1
SCHEMBL14621493 0.84 ALDH1A1 (0.39) TSHRALDH1A1LMNANPSR1MAPK1
SCHEMBL15796558 0.83 EPHX1 (0.58) EPHX1NAAATSHRFAAHALDH1A1
SCHEMBL21184185 0.83 EPHX1 (0.58) EPHX1NAAATSHRFAAHALDH1A1
SCHEMBL15796303 0.81 EPHX1 (0.52) EPHX1NAAATSHRFAAHACHE
Hydrochloric Acid SCHEMBL15569656 0.81 EPHX1 (0.56) EPHX1NAAATSHRFAAHALDH1A1

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-8455451-B2 2'-fluoro substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2013-06-04 US disclosed
US-20120009147-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-01-12 US disclosed
US-7973013-B2 2'-fluoro substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2011-07-05 US disclosed
US-20110070194-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2011-03-24 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-20120009147-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, NSUN2, CDA EPHX1 3681/4885NAAA 1320/4885TSHR 1948/4885
US-20110070194-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, RNGTT, SLC29A1 EPHX1 4012/4885NAAA 2274/4885TSHR 1347/4885

“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.