Sugi Predict

Sugi Predict / Compounds / SCHEMBL2033416

SCHEMBL2033416

SCHEMBL2033416

O=C(O)c1nc(SCc2ccc(Cl)cc2)n2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.55
▸ DRD2 P14416 11/20 0.55
▸ TBXA2R P21731 10/20 0.55
▸ HDAC3 O15379 2/20 0.47
▸ HDAC4 P56524 2/20 0.47
▸ HDAC1 Q13547 2/20 0.47
▸ HDAC7 Q8WUI4 2/20 0.47
▸ HDAC2 Q92769 2/20 0.47
▸ HDAC10 Q969S8 2/20 0.47
▸ HDAC11 Q96DB2 2/20 0.47
▸ HDAC8 Q9BY41 2/20 0.47
▸ HDAC6 Q9UBN7 2/20 0.47
▸ HDAC9 Q9UKV0 2/20 0.47
▸ HDAC5 Q9UQL6 2/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46

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
SCHEMBL9042982 0.72 ALDH1A1 (0.46) PTGDR2DRD2TBXA2RMEN1ALDH1A1
SCHEMBL5500790 0.71 PTGDR2 (1.00) PTGDR2DRD2TBXA2RHDAC3HDAC4
SCHEMBL5114577 0.68 PTGDR2 (0.64) PTGDR2DRD2TBXA2RHDAC3HDAC4
SCHEMBL31282458 0.68 ALDH1A1 (0.45) PTGDR2MEN1ALDH1A1KMT2A
SCHEMBL5431995 0.68 NPSR1 (0.52) PTGDR2TBXA2RMEN1ALDH1A1CYP1A2
SCHEMBL25374632 0.67 HAT1 (0.49) MEN1ALDH1A1KMT2AHAT1EP300
SCHEMBL4497415 0.67 L3MBTL1 (0.60) MEN1ALDH1A1KMT2A
SCHEMBL2743130 0.67 PTGS2 (0.49) MEN1ALDH1A1KMT2A
SCHEMBL4498121 0.66 MAPT (0.63) MEN1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL20892203 0.66 DRD2 (0.67) PTGDR2DRD2TBXA2RCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11285165-B2 Selective high-affinity polydentate ligands and methods of making such LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2022-03-29 — — US disclosed
US-20210106677-A1 VACCINE DEVELOPMENT METHODOLOGY BASED ON AN ADHESION MOLECULE MATSFIDE, INC. (US) 2021-04-15 — — US disclosed
US-20210000843-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2021-01-07 — — US disclosed
US-10874678-B2 Selective high-affinity polydentate ligands and methods of making such LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2020-12-29 — — US disclosed
US-10646502-B2 Selective high-affinity polydentate ligands and methods of making such LAWRENCE LIVERMORE NATIONAL SECURITY (US) 2020-05-12 — — US disclosed
US-20190262364-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2019-08-29 — — US disclosed
US-10292992-B2 Selective high-affinity polydentate ligands and methods of making such LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2019-05-21 — — US disclosed
US-9884070-B2 Selective high-affinity polydentate ligands and methods of making such LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2018-02-06 — — US disclosed
US-20180008621-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2018-01-11 — — US disclosed
US-20180008622-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2018-01-11 — — US disclosed
EP-2268654-B1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH UNIV CALIFORNIA (US) 2017-01-25 — — EP disclosed
US-8536133-B2 Selective high-affinity polydentate ligands and methods of making such LAWRENCE LIVERMORE NATIONAL SECURITY, LLC. (US) 2013-09-17 — — US disclosed
US-20110144065-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH U.S. DEPARTMENT OF ENERGY 2011-06-16 — — US disclosed
US-20100184702-A1 Selective High-Affinity Polydentate Ligands and Methods of Making Such LAWRENCE LIVERMORE NATIONAL SECURITY, LLC 2010-07-22 — — US disclosed
US-7662785-B2 Selective high affinity polydentate ligands and methods of making such THE REGENTS OF CALIFORNIA (US) 2010-02-16 — — US disclosed
US-20060084115-A1 Selective high affinity polydentate ligands and methods of making such THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2006-04-20 — — 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 (10 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-10646502-B2 Selective high-affinity polydentate ligands and methods of making such CD44, FCGR3B, FCGR2A PTGDR2 2376/4885DRD2 583/4885TBXA2R 4535/4885
US-11285165-B2 Selective high-affinity polydentate ligands and methods of making such CD44, FCGR3B, FCGR2A PTGDR2 2376/4885DRD2 583/4885TBXA2R 4535/4885
US-20110144065-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH CD44, FCGR3B, FCGR2A PTGDR2 2376/4885DRD2 583/4885TBXA2R 4535/4885
US-20100184702-A1 Selective High-Affinity Polydentate Ligands and Methods of Making Such CD44, FCGR3B, FCGR2A PTGDR2 2376/4885DRD2 583/4885TBXA2R 4535/4885
US-20180008621-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH CD44, FCGR3B, FCGR2A PTGDR2 2376/4885DRD2 583/4885TBXA2R 4535/4885
US-20180008622-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH CD44, FCGR3B, FCGR2A PTGDR2 2376/4885DRD2 583/4885TBXA2R 4535/4885
US-20190262364-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH CD44, FCGR3B, FCGR2A PTGDR2 2376/4885DRD2 583/4885TBXA2R 4535/4885
US-10874678-B2 Selective high-affinity polydentate ligands and methods of making such CD44, FCGR3B, FCGR2A PTGDR2 2376/4885DRD2 583/4885TBXA2R 4535/4885
US-20210000843-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH CD44, FCGR3B, FCGR2A PTGDR2 2376/4885DRD2 583/4885TBXA2R 4535/4885
US-10292992-B2 Selective high-affinity polydentate ligands and methods of making such CD44, FCGR3B, FCGR2A PTGDR2 2376/4885DRD2 583/4885TBXA2R 4535/4885

“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.