SCHEMBL2102896

SCHEMBL2102896

CCC(CC)(C(=O)O)C(=O)OCl

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
THRB P10828 1/20 0.30
KMT2A Q03164 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
SCHEMBL27382350 0.87 MEN1 (0.30) MEN1KMT2A
SCHEMBL9307812 0.82
SCHEMBL221073 0.80 PTPN1 (0.40) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL10831561 0.78 MEN1 (0.31) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL8582776 0.77
SCHEMBL1500326 0.76 MEN1 (0.30) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL2958109 0.76 PTPN1 (0.32) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL1500317 0.76 MEN1 (0.30) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL456197 0.76 MEN1 (0.48) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL6130103 0.76 MEN1 (0.34) MEN1ALDH1A1CYP1A2THRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114773404-B High-carboxyl-content lignin dispersing agent, preparation and application thereof in nano pesticide suspending agent 华南理工大学 2023-06-16 CN disclosed
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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 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 (4 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD MEN1 859/4885ALDH1A1 530/4885CYP1A2 42/4885
US-20130078218-A1 HEPATITIS C THERAPIES HAVCR2, FABP1, LIPC MEN1 4715/4885ALDH1A1 435/4885CYP1A2 982/4885
US-20060234963-A1 Hepatitis C therapies HAVCR2, FABP1, LIPC MEN1 4715/4885ALDH1A1 435/4885CYP1A2 982/4885
US-20100143300-A1 HEPATITIS C THERAPIES HAVCR2, FABP1, LIPC MEN1 4715/4885ALDH1A1 435/4885CYP1A2 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.