Sugi Predict

Sugi Predict / Compounds / SCHEMBL2965017

SCHEMBL2965017

SCHEMBL2965017

CC(C#N)=Cc1ccc(C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.59
▸ TDP1 Q9NUW8 2/20 0.59
▸ POLB P06746 2/20 0.59
▸ GLA P06280 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ LMNA P02545 3/20 0.49
▸ HPGD P15428 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ KMT2A Q03164 3/20 0.45
▸ TP53 P04637 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ RARA P10276 3/20 0.44
▸ RARB P10826 3/20 0.44
▸ RARG P13631 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ RXRA P19793 2/20 0.43
▸ CISD1 Q9NZ45 1/20 0.43
▸ SLC16A3 O15427 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
SCHEMBL13710832 0.84 ALDH1A1 (0.56) ALDH1A1POLBLMNAHPGDKMT2A
SCHEMBL4910902 0.81 ALDH1A1 (0.68) ALDH1A1TDP1POLBGLAL3MBTL1
SCHEMBL8588438 0.79 ALDH1A1 (0.65) ALDH1A1TDP1POLBGLAL3MBTL1
SCHEMBL8826946 0.79 ESR1 (0.67) ALDH1A1TDP1POLBGLAL3MBTL1
SCHEMBL8826952 0.79 ESR1 (0.67) ALDH1A1TDP1POLBGLAL3MBTL1
SCHEMBL10964033 0.79 EGFR (0.64) ALDH1A1POLBLMNAHPGDKMT2A
SCHEMBL10964041 0.79 EGFR (0.64) ALDH1A1POLBLMNAHPGDKMT2A
SCHEMBL5168254 0.78 MCL1 (0.50) ALDH1A1POLBL3MBTL1LMNASMN1; SMN2
SCHEMBL679854 0.78 MCL1 (0.50) ALDH1A1POLBL3MBTL1LMNASMN1; SMN2
SCHEMBL13710834 0.78 ALDH1A1 (0.50) ALDH1A1POLBLMNAHPGDKMT2A

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109313198-B Background blockers for binding assays 雷度米特图尔库公司 2022-07-15 — — CN disclosed
US-20220204565-A1 Cyclic Peptide Antiviral Agents and Methods Using Same UNIV DREXEL (US) 2022-06-30 — — US disclosed
EP-3990446-A1 NOVEL LUMINESCENT LANTHANIDE CHELATE REPORTERS, BIOSPECIFIC BINDING REACTANTS LABELLED WITH NOVEL LUMINESCENT LANTHANIDE CHELATE REPORTERS AND THEIR USE Radiometer Turku Oy (FI) 2022-05-04 — — EP disclosed
CN-114026070-A Novel luminescent lanthanide chelate reporter molecules, biospecific binding reactants labeled with novel luminescent lanthanide chelate reporter molecules and uses thereof 雷度米特图尔库公司 2022-02-08 — — CN disclosed
CN-107074815-B Novel chromophoric structures for macrocyclic lanthanide chelates 雷度米特图尔库公司 2021-06-22 — — CN disclosed
EP-3768665-A1 LUMINESCENT LANTHANIDE CHELATES AND THEIR USE Radiometer Turku Oy (FI) 2021-01-27 — — EP disclosed
WO-2020260384-A1 NOVEL LUMINESCENT LANTHANIDE CHELATE REPORTERS, BIOSPECIFIC BINDING REACTANTS LABELLED WITH NOVEL LUMINESCENT LANTHANIDE CHELATE REPORTERS AND THEIR USE RADIOMETER TURKU OY (FI) 2020-12-30 — — WO disclosed
US-20190375792-A1 Cyclic Peptide Antiviral Agents and Methods Using Same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-12-12 — — US disclosed
WO-2019179798-A1 LUMINESCENT LANTHANIDE CHELATES AND THEIR USE RADIOMETER TURKU OY (FI) 2019-09-26 — — WO disclosed
US-20190175688-A1 Cyclic Peptides and Methods Using Same UNIV DREXEL (US) 2019-06-13 — — US disclosed
EP-1402263-B1 TWO-PHOTON ABSORBING DIPYRROMETHENEBORON DIFLUORIDE DYES AND THEIR APPLICATIONS ARCTIC DIAGNOSTICS OY (FI) 2009-10-28 — — EP disclosed
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 — — US disclosed
CN-1852989-A PKNB kinase and PSTP phosphatase and methods of identifying inhibitory substances PASTEUR INSTITUT (FR) 2006-10-25 — — CN disclosed
WO-2006065809-A2 HETEROATOM BRIDGED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-06-22 — — WO disclosed
CN-1257408-C Two-photon absorption dipyrromethene boron difluoride dye and application thereof ARCTIC DIAGNOSTICS OY (FI) 2006-05-24 — — CN disclosed
CN-1526071-A Two-photon absorption dipyrromethene boron difluoride dye and application thereof ����˹ҽ�����޹�˾ 2004-09-01 — — CN disclosed
EP-1007548-A4 TSETSE THROMBIN INHIBITOR UNIV YALE (US) 2002-07-03 — — EP disclosed
EP-1007548-A1 TSETSE THROMBIN INHIBITOR Yale University (US) 2000-06-14 — — EP disclosed
US-6036958-A POLYPEPTIDES WITH AMINO ACID SEQUENCES YALE UNIVERSITY (US) 2000-03-14 — — US disclosed
WO-1997043309-A1 TSETSE THROMBIN INHIBITOR YALE UNIVERSITY (US) 1997-11-20 — — 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-20190375792-A1 Cyclic Peptide Antiviral Agents and Methods Using Same VIP, CCL5, ZC3HAV1 ALDH1A1 3108/4885TDP1 2298/4885POLB 1122/4885
US-20220204565-A1 Cyclic Peptide Antiviral Agents and Methods Using Same ZC3HAV1, VIP, LNPEP ALDH1A1 4630/4885TDP1 2941/4885POLB 981/4885
US-20190175688-A1 Cyclic Peptides and Methods Using Same VIP, NGLY1, LNPEP ALDH1A1 4603/4885TDP1 4293/4885POLB 3543/4885
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization AP2M1, AP1M1, PYM1 ALDH1A1 4332/4885TDP1 4183/4885POLB 2658/4885

“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.