SCHEMBL2700543

SCHEMBL2700543

O=C(C=C(O)c1ccc(-c2ccc(Br)cc2)cc1)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
HAO1 Q9UJM8 1/20 0.42
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
ALAD P13716 1/20 0.36
CYP1B1 Q16678 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL2700542 1.00 CYP1A2 (0.54) CYP1A2HAO1CES2CES1CA1
SCHEMBL2697770 0.83 MAPT (0.50) CES2CES1CA2RXRARXRB
SCHEMBL2697768 0.83 MAPT (0.50) CES2CES1CA2RXRARXRB
SCHEMBL2697875 0.83 ALDH1A1 (0.44) CYP1A2CES2CES1CA1CA2
SCHEMBL2697879 0.83 ALDH1A1 (0.44) CYP1A2CES2CES1CA1CA2
SCHEMBL2698488 0.83 NR4A1 (0.50) CES2CES1RXRARXRBRXRG
SCHEMBL2700540 0.83 MAPT (0.50) CES2CES1CA2RXRARXRB
SCHEMBL2698489 0.83 NR4A1 (0.50) CES2CES1RXRARXRBRXRG
SCHEMBL2698824 0.81 RXRA (0.45) RXRARXRBRXRGALDH1A1HDAC1
SCHEMBL2698826 0.81 RXRA (0.45) RXRARXRBRXRGALDH1A1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580827-B2 Anti-Francisella agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-11-12 US disclosed
EP-2246332-B1 Pyrazole derivatives as anti-francisella agents UNIV OHIO STATE RES FOUND (US) 2013-09-18 EP disclosed
US-20130005788-A1 ANTI-FRANCISELLA AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-01-03 US disclosed
US-20120108823-A1 ANTI-FRANCISELLA AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-05-03 US disclosed
EP-2246332-A1 Pyrazole derivatives as anti-francisella agents The Ohio State University Research Foundation (US) 2010-11-03 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-20130005788-A1 ANTI-FRANCISELLA AGENTS PTGS1, PTGS2, PTGES2 CYP1A2 2402/4885HAO1 3767/4885CES2 2237/4885
US-20120108823-A1 ANTI-FRANCISELLA AGENTS PTGS1, PTGS2, PTGES2 CYP1A2 2402/4885HAO1 3767/4885CES2 2237/4885

“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.