SCHEMBL249779

SCHEMBL249779

O=S(=O)(Oc1cccc2cccnc12)C(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.64
METAP1 P53582 2/20 0.64
PDE4A P27815 3/20 0.51
PDE4C Q08493 3/20 0.51
PDE4D Q08499 3/20 0.51
SLC40A1 Q9NP59 2/20 0.51
LMNA P02545 2/20 0.49
HDAC6 Q9UBN7 1/20 0.49
KDM4E B2RXH2 2/20 0.49
ALOX12 P18054 1/20 0.49
GLRA3 O75311 2/20 0.48
GLRB P48167 1/20 0.48
RAB9A P51151 2/20 0.48
MAPT P10636 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 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
SCHEMBL12578335 0.88 METAP2 (0.51) METAP2METAP1PDE4APDE4CPDE4D
SCHEMBL1773804 0.87 METAP2 (0.53) METAP2METAP1PDE4APDE4CPDE4D
SCHEMBL31299565 0.84 METAP2 (0.53) METAP2METAP1PDE4APDE4CPDE4D
SCHEMBL30833568 0.82 METAP2 (0.65) METAP2METAP1SLC40A1LMNAHDAC6
SCHEMBL19568045 0.82 METAP2 (0.65) METAP2METAP1SLC40A1LMNAHDAC6
SCHEMBL28787393 0.82 METAP2 (0.48) METAP2METAP1PDE4APDE4CPDE4D
SCHEMBL7257985 0.82 METAP2 (0.69) METAP2METAP1SLC40A1LMNAHDAC6
SCHEMBL16582721 0.81 ERN1 (0.51) METAP2METAP1PDE4APDE4CPDE4D
SCHEMBL27854709 0.81 CCR1 (0.47) METAP2METAP1PDE4APDE4CPDE4D
SCHEMBL4818198 0.81 METAP2 (0.42) METAP2METAP1PDE4APDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117324042-A Catalytic system for deoxidizing phenolic derivative, and mild and efficient deoxidizing method and application thereof 中国科学院长春应用化学研究所 2024-01-02 CN disclosed
EP-2607348-B1 Plasminogen Activator Inhibitor-1 Inhibitor RENASCIENCE INC (JP) 2021-03-17 EP disclosed
CN-102378753-B Plasminogen activator-1 inhibitor RENASCIENCE Co.,Ltd. (JP) 2016-03-02 CN disclosed
CN-103068803-B As imidazo [4, the 5-c] quinolines of DNA-PK inhibitor MERCK PATENT GMBH (DE) 2016-01-20 CN disclosed
US-9102617-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-11 US disclosed
US-9102617-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-11 US disclosed
US-8895558-B2 Arylpiperazine-containing pyrrole 3-carboxamide derivatives for treating depressive disorders GREEN CROSS CORPORATION (KR) 2014-11-25 US disclosed
US-8895558-B2 Arylpiperazine-containing pyrrole 3-carboxamide derivatives for treating depressive disorders GREEN CROSS CORPORATION (KR) 2014-11-25 US disclosed
US-8895558-B2 Arylpiperazine-containing pyrrole 3-carboxamide derivatives for treating depressive disorders GREEN CROSS CORPORATION (KR) 2014-11-25 US disclosed
US-20140296256-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR RENASCIENCE CO LTD (JP) 2014-10-02 US disclosed
US-20040053890-A1 Naphthalene derivatives NOVARTIS AG (CH) 2004-03-18 US disclosed
EP-1339663-A2 NAPHTHALENE DERIVATIVES Novartis AG (CH) 2003-09-03 EP disclosed
US-6465482-B2 ANTIDEPRESSANTS; ANXIOLYTIC AGENTS; SEROTONIN-AFFECTED NERVOUS SYSTEM DISORDERS; ACTING AT THE 5-HT1A AUTORECEPTORS CONCOMMITANTLY WITH 5-HT TRANSPORTERS; ANTISEROTONIN AGENTS; SEROTONIN REUPTAKE INHIBITORS; HT3 RECEPTOR ANTAGONISTS WYETH 2002-10-15 US disclosed
WO-2002042248-A2 NAPHTHALENE DERIVATIVES NOVARTIS AG (CH) 2002-05-30 WO disclosed
CN-1336916-A Arylpiperazinyl-cyclohexyl indole derivatives for the treatment of depression AMERICAN HOME PROD (US) 2002-02-20 CN disclosed
US-5968985-A INHIBITORS OF SODIUM ION/HYDROGEN ION EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 US disclosed
EP-0682017-B1 Substituted bicycle heteroaroylguanidines, their preparation and their application in medicaments and diagnostic agents HOECHST AG (DE) 1999-08-11 EP disclosed
EP-0773927-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 EP disclosed
WO-1996004241-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed
EP-0682017-A1 Substituted bicycle heteroaroylguanidines, their preparation and their application in medicaments and diagnostic agents HOECHST AKTIENGESELLSCHAFT (DE) 1995-11-15 EP 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-20140296256-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR SERPINE1, SERPINC1, SERPINB1 METAP2 430/4885METAP1 124/4885PDE4A 2445/4885
US-20040053890-A1 Naphthalene derivatives CYP1A1, SULT1E1, CYP2F1 METAP2 4510/4885METAP1 4389/4885PDE4A 3113/4885

“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.