SCHEMBL3487724

SCHEMBL3487724

Cc1cccc(C)c1C(=O)OCC=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
ELANE P08246 1/20 0.43
MAPT P10636 3/20 0.39
GAA P10253 1/20 0.39
CYP3A4 P08684 3/20 0.38
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
RAB9A P51151 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GPR52 Q9Y2T5 1/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
MMP1 P03956 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
Aspartic Acid SCHEMBL5445293 0.83 SLC1A3 (0.38) CA12CA1CA2CA7CA9
SCHEMBL6423366 0.81 KMT2A (0.52) MAPTGAACYP3A4KMT2AMEN1
SCHEMBL18127944 0.80 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL570471 0.80 CA12 (0.70) CA12CA1CA2CA7CA9
SCHEMBL5664136 0.80 TSHR (0.53) GAACYP3A4KMT2AMEN1RAB9A
SCHEMBL3316733 0.78 L3MBTL1 (0.46) CA12CA1CA2CA7CA9
SCHEMBL3487721 0.77 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL5835110 0.77 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL22423696 0.76 ALDH1A1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL12831173 0.76 CA12 (0.48) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4397770-A1 STABILISATION AND ISOLATION OF EXTRACELLULAR NUCLEIC ACIDS PreAnalytiX GmbH (CH) 2024-07-10 EP disclosed
EP-3401406-B1 STABILISATION AND ISOLATION OF EXTRACELLULAR NUCLEIC ACIDS PREANALYTIX GMBH (CH) 2023-11-29 EP disclosed
US-20230285598-A1 SULFOXONIUM YLIDE DERIVATIVES AS PROBES FOR CYSTEINE PROTEASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-09-14 US disclosed
EP-3447141-B1 STABILISATION OF BIOLOGICAL SAMPLES PREANALYTIX GMBH (CH) 2020-08-05 EP disclosed
EP-2976425-B1 STABILIZATION AND ISOLATION OF EXTRACELLULAR NUCLEIC ACIDS QIAGEN GMBH (DE) 2019-11-06 EP disclosed
EP-3401406-A1 STABILISATION AND ISOLATION OF EXTRACELLULAR NUCLEIC ACIDS QIAGEN GmbH (DE) 2018-11-14 EP disclosed
EP-2976424-B1 STABILISATION OF BIOLOGICAL SAMPLES QIAGEN GMBH (DE) 2018-10-03 EP disclosed
EP-2761020-B1 STABILISATION AND ISOLATION OF EXTRACELLULAR NUCLEIC ACIDS QIAGEN GMBH (DE) 2018-06-13 EP disclosed
EP-2900834-B1 STABILISATION OF BIOLOGICAL SAMPLES QIAGEN GMBH (DE) 2016-11-09 EP disclosed
EP-2761000-B1 STABILISATION AND ISOLATION OF EXTRACELLULAR NUCLEIC ACIDS PREANALYTIX GMBH (CH) 2016-03-16 EP disclosed
US-20100068150-A1 Selective Caspase Inhibitors THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2010-03-18 US disclosed
EP-2043672-A2 SELECTIVE CASPASE INHIBITORS The Board of Trustees of The Leland Stanford Junior University (US) 2009-04-08 EP disclosed
WO-2008008264-A2 SELECTIVE CASPASE INHIBITORS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2008-01-17 WO disclosed
US-7247438-B1 Methods of identifying agents which enhance caspase activity DANA-FARBER CANCER INSTITUTE (US) 2007-07-24 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-20100068150-A1 Selective Caspase Inhibitors CASP14, MLKL, CASP7 CA12 2138/4885CA1 457/4885CA2 1944/4885
US-20230285598-A1 SULFOXONIUM YLIDE DERIVATIVES AS PROBES FOR CYSTEINE PROTEASE CTSZ, CTSF, CTSL CA12 294/4885CA1 278/4885CA2 446/4885

“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.