SCHEMBL3536109

SCHEMBL3536109

O=C(Oc1c(F)c(F)c(F)c(F)c1F)c1ccc(CBr)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.44
▸ CES1 P23141 1/20 0.44
▸ LOXL2 Q9Y4K0 1/20 0.40
▸ SENP1 Q9P0U3 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CYP4A11 Q02928 4/20 0.37
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP4F2 P78329 3/20 0.36
▸ CCR6 P51684 1/20 0.35
▸ HKDC1 Q2TB90 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ PTPN1 P18031 1/20 0.35

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
SCHEMBL27685285 0.87 CYP4A11 (0.41) LOXL2SENP1MEN1KMT2AMAPK1
SCHEMBL5889497 0.85 SENP1 (0.47) SENP1MEN1KMT2AMAPK1MAPT
SCHEMBL2937165 0.84 HPGD (0.43) LOXL2SENP1MEN1KMT2AMAPK1
SCHEMBL23235066 0.80 RAB9A (0.49) CES2CES1SENP1MEN1KMT2A
SCHEMBL15712039 0.78 TDP1 (0.55) CES2CES1KMT2AMAPTTDP1
SCHEMBL10126445 0.78 SENP1 (0.59) SENP1MEN1KMT2AMAPK1MAPT
SCHEMBL8712521 0.78 CA1 (0.55) LOXL2MEN1KMT2AMAPK1POLB
SCHEMBL19543203 0.78 ALDH1A1 (0.47) LOXL2MEN1KMT2APOLBMAPT
SCHEMBL8159484 0.77 CES2 (0.53) CES2CES1LOXL2MEN1KMT2A
SCHEMBL11355161 0.77 CES2 (0.42) CES2CES1SENP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200339993-A1 Aptamer Conjugates with N-Heterocyclic Carbene Metal Complexes for Targeted Drug Delivery UNIVERSITY OF FLORIDA RESEARCH FOUNDATION INC. 2020-10-29 — — US disclosed
US-10731164-B2 Aptamer conjugates with N-heterocyclic carbene metal complexes for targeted drug delivery UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2020-08-04 — — US disclosed
US-20170107516-A1 Aptamer Conjugates With N-Heterocyclic Carbene Metal Complexes for Targeted Drug Delivery UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2017-04-20 — — US disclosed
US-20150139901-A1 Radioactive Rhodium Complexes, Preparation Methods and Uses Thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE (INSERM) (FR) 2015-05-21 — — US disclosed
US-20150139901-A1 Radioactive Rhodium Complexes, Preparation Methods and Uses Thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE (INSERM) (FR) 2015-05-21 — — US disclosed
US-20150139901-A1 Radioactive Rhodium Complexes, Preparation Methods and Uses Thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE (INSERM) (FR) 2015-05-21 — — US disclosed
EP-2850089-A1 RADIOACTIVE RHODIUM COMPLEXES, PREPARATION METHODS AND USES THEREOF Institut National de la Santé et de la Recherche Médicale (INSERM) (FR) 2015-03-25 — — EP disclosed
WO-2013171224-A1 RADIOACTIVE RHODIUM COMPLEXES, PREPARATION METHODS AND USES THEREOF INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2013-11-21 — — WO disclosed
US-7723529-B2 Process for preparing nitrooxy esters, nitrooxy thioesters nitrooxy carbonates and nitrooxy thiocarbinates, intermediates useful in said process and preparation thereof NICOX S.A. (FR) 2010-05-25 — — US disclosed
US-20070238882-A1 Process for Preparing Nitrooxy Esters, Nitrooxy Thioesters Nitrooxy Carbonates and Nitrooxy Thiocarbinates, Intermediates Useful in Said Process and Preparation Thereof NICOX S.A. (FR) 2007-10-11 — — US disclosed
EP-1778617-A1 PROCESS FOR PREPARING NITROOXY ESTERS, NITROOXY THIOESTERS, NITROOXY CARBONATES AND NITROOXY THIOCARBONATES, INTERMEDIATES USEFUL IN SAID PROCESS AND PREPARATION THEREOF NicOx S.A. (FR) 2007-05-02 — — EP disclosed
WO-2006079610-A1 NITROOXY SARTAN DERIVATIVES AS ANGIOTENSIN II RECEPTOR BLOCKERS FOR THE TREATMENT OF CARDIOVASCULAR AND INFLAMMATORY DISEASES NICOX S.A. (FR) 2006-08-03 — — WO disclosed
WO-2006008196-A1 PROCESS FOR PREPARING NITROOXY ESTERS, NITROOXY THIOESTERS, NITROOXY CARBONATES AND NITROOXY THIOCARBONATES, INTERMEDIATES USEFUL IN SAID PROCESS AND PREPARATION THEREOF NICOX S.A. (FR) 2006-01-26 — — 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 (5 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-20150139901-A1 Radioactive Rhodium Complexes, Preparation Methods and Uses Thereof RAB35, MRPL21, MRPS35 CES2 2125/4885CES1 3203/4885LOXL2 4682/4885
US-20170107516-A1 Aptamer Conjugates With N-Heterocyclic Carbene Metal Complexes for Targeted Drug Delivery NTPCR, NDC1, PAICS CES2 1213/4885CES1 2030/4885LOXL2 4703/4885
US-20070238882-A1 Process for Preparing Nitrooxy Esters, Nitrooxy Thioesters Nitrooxy Carbonates and Nitrooxy Thiocarbinates, Intermediates Useful in Said Process and Preparation Thereof OTUB1, TET1, TET3 CES2 125/4885CES1 405/4885LOXL2 2692/4885
US-10731164-B2 Aptamer conjugates with N-heterocyclic carbene metal complexes for targeted drug delivery NTPCR, NDC1, PAICS CES2 1213/4885CES1 2030/4885LOXL2 4703/4885
US-20200339993-A1 Aptamer Conjugates with N-Heterocyclic Carbene Metal Complexes for Targeted Drug Delivery NTPCR, NDC1, PAICS CES2 1213/4885CES1 2030/4885LOXL2 4703/4885

“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.

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