Sugi Predict

Sugi Predict / Compounds / SCHEMBL136576

SCHEMBL136576

SCHEMBL136576

N#CCC(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.47
▸ MMP9 P14780 1/20 0.47
▸ MMP8 P22894 1/20 0.47
▸ HDAC3 O15379 6/20 0.46
▸ HDAC1 Q13547 6/20 0.46
▸ HDAC2 Q92769 6/20 0.46
▸ HDAC4 P56524 5/20 0.46
▸ HDAC7 Q8WUI4 5/20 0.46
▸ HDAC10 Q969S8 5/20 0.46
▸ HDAC11 Q96DB2 5/20 0.46
▸ HDAC8 Q9BY41 5/20 0.46
▸ HDAC6 Q9UBN7 5/20 0.46
▸ HDAC9 Q9UKV0 5/20 0.46
▸ HDAC5 Q9UQL6 5/20 0.46
▸ EPHX2 P34913 3/20 0.45
▸ TRPV1 Q8NER1 3/20 0.44
▸ NR1H4 Q96RI1 1/20 0.43
▸ RAPGEF3 O95398 2/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ NPC1 O15118 1/20 0.42

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
SCHEMBL3588306 0.83 KAT6A (0.50) HDAC8
SCHEMBL3595754 0.81 RAB9A (0.47) NPC1RAB9AMEN1ALDH1A1MAPT
SCHEMBL395103 0.80 GSK3B (0.48) NPC1RAB9AMEN1ALDH1A1CYP3A4
SCHEMBL20015846 0.78 EPHX2 (0.57) HDAC3HDAC1HDAC2EPHX2TRPV1
SCHEMBL2093772 0.77 MMP2 (0.50) MMP2MMP9MMP8HDAC3HDAC1
SCHEMBL2378872 0.77 MMP2 (0.54) MMP2MMP9MMP8HDAC3HDAC1
SCHEMBL8288215 0.77 HDAC3 (0.59) MMP2MMP9MMP8HDAC3HDAC1
SCHEMBL6141283 0.77 HDAC3 (0.54) MMP2MMP9MMP8HDAC3HDAC1
SCHEMBL3638164 0.77 MMP2 (0.50) MMP2MMP9MMP8HDAC3HDAC1
SCHEMBL135620 0.77 HDAC3 (0.59) HDAC3HDAC1HDAC2HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119192171-A Small molecule compounds and their use in vitro expansion of hematopoietic stem cells and/or progenitor cells 上海交通大学医学院 2024-12-27 — — CN disclosed
CN-110272400-B Synthesis method of 2-trifluoromethyl substituted furan compound and derivative thereof 福州大学 2022-08-23 — — CN disclosed
US-11312722-B2 Hsp90 inhibitors and uses thereof TRUSTEES OF BOSTON UNIVERSITY (US) 2022-04-26 — — US disclosed
CN-114163384-A Method for synthesizing polysubstituted 5-acyl nicotinonitrile 温州医科大学 2022-03-11 — — CN disclosed
US-20200354373-A1 HSP90 INHIBITORS AND USES THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2020-11-12 — — US disclosed
WO-2020227368-A1 HSP90 INHIBITORS AND USES THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2020-11-12 — — WO disclosed
CN-110272400-A The synthetic method of 2- trifluoromethyl substituted furan compound and its derivative 福州大学 2019-09-24 — — CN disclosed
EP-2430029-B1 THIENO[2,3-B]PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS UNIV LEUVEN KATH (BE) 2018-01-10 — — EP disclosed
US-9499563-B2 Thieno [2, 3-B] pyridine derivatives as viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2016-11-22 — — US disclosed
CN-105367583-A THIENO[2, 3-B]PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS UNIV LEUVEN KATH 2016-03-02 — — CN disclosed
WO-2007036730-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2007-04-05 — — WO disclosed
EP-1054887-B1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC (US) 2006-04-12 — — EP disclosed
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof DERMIRA (CANADA), INC. 2005-12-08 — — US disclosed
EP-1450791-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS Kinetek Pharmaceuticals, Inc. (CA) 2004-09-01 — — EP disclosed
US-6583154-B1 Neuropeptide Y antagonist; pyrrolo-(3,2-b)pyridines and pyrrolo-(3,2-d)pyrimidines AMGEN INC. 2003-06-24 — — US disclosed
WO-2003045379-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS KINETEK PHARMACEUTICALS, INC. (CA) 2003-06-05 — — WO disclosed
US-6187777-B1 PYRROLO(3,2-D)PYRIMIDINE DERIVATIVES; NEUROPEPTIDE Y AND CORTICOTROPIN RELEASING FACTOR MODULATORS; DIETETICS; ANTIDIABETIC, ANTIINFLAMMATORY, AND ANTITUMOR AGENTS AMGEN INC. 2001-02-13 — — US disclosed
EP-1054887-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS Amgen Inc. (US) 2000-11-29 — — EP disclosed
WO-1999040091-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC. (US) 1999-08-12 — — WO disclosed
US-5453514-A Diabetes YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1995-09-26 — — 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 (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-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof MKI67, CDK4, CCNC MMP2 2327/4885MMP9 2052/4885MMP8 1601/4885
US-20200354373-A1 HSP90 INHIBITORS AND USES THEREOF HSP90AB1, HSP90B1, HSP90AA1 MMP2 2808/4885MMP9 4137/4885MMP8 3699/4885
US-11312722-B2 Hsp90 inhibitors and uses thereof HSP90AB1, HSP90B1, HSP90AA1 MMP2 2808/4885MMP9 4137/4885MMP8 3699/4885

“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.