SCHEMBL2102900

SCHEMBL2102900

CCC(CCCl)(C(=O)O)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
THRB P10828 1/20 0.35
KMT2A Q03164 1/20 0.35
ARG1 P05089 1/20 0.31
ARG2 P78540 1/20 0.31
TSHR P16473 2/20 0.30
FFAR3 O14843 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL9307815 0.87 MEN1 (0.31) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL11500450 0.86 MEN1 (0.33) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL1033008 0.79 ALDH1A1 (0.38) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL51201 0.78 FFAR3 (0.41) ALDH1A1MEN1CYP1A2THRBKMT2A
Methane SCHEMBL28218821 0.77 ALDH1A1 (0.37) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL22283924 0.77 ALDH1A1 (0.37) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL16054795 0.77 ALDH1A1 (0.37) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL10875807 0.76 MEN1 (0.31) ALDH1A1MEN1CYP1A2THRBKMT2A
Carbon Tetrachloride SCHEMBL10421671 0.76 ALDH1A1 (0.42) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL9489101 0.75 FFAR3 (0.39) ALDH1A1MEN1CYP1A2THRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130078218-A1 HEPATITIS C THERAPIES BIOCRYST PHARMACEUTICALS, INC. 2013-03-28 US disclosed
EP-2537520-A1 Hepatics C therapies Biocryst Pharmaceuticals, Inc. (US) 2012-12-26 EP disclosed
US-8163703-B2 Hepatitis C therapies BIOCRYST PHARMACEUTICALS, INC. (US) 2012-04-24 US disclosed
US-20100143300-A1 HEPATITIS C THERAPIES WILMINGTON TRUST, NATIONAL ASSOCIATION 2010-06-10 US disclosed
US-7514410-B2 Hepatitis C therapies BIOCRYST PHARMACEUTICALS, INC. (US) 2009-04-07 US disclosed
EP-1863500-A2 HEPATITIS C THERAPIES BIOCRYST PHARMACEUTICALS, INC. (US) 2007-12-12 EP disclosed
US-20060234963-A1 Hepatitis C therapies WILMINGTON TRUST, NATIONAL ASSOCIATION 2006-10-19 US disclosed
WO-2006104945-A2 HEPATITIS C THERAPIES BIOCRYST PHARMACEUTICALS, INC. (US) 2006-10-05 WO 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 (3 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-20130078218-A1 HEPATITIS C THERAPIES HAVCR2, FABP1, LIPC ALDH1A1 435/4885MEN1 4715/4885CYP1A2 982/4885
US-20060234963-A1 Hepatitis C therapies HAVCR2, FABP1, LIPC ALDH1A1 435/4885MEN1 4715/4885CYP1A2 982/4885
US-20100143300-A1 HEPATITIS C THERAPIES HAVCR2, FABP1, LIPC ALDH1A1 435/4885MEN1 4715/4885CYP1A2 982/4885

“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.