SCHEMBL1948935

SCHEMBL1948935

O=C(c1ccccc1)N(Cl)OC(=O)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.46
MLYCD O95822 3/20 0.41
NR1H3 Q13133 2/20 0.38
NR1H2 P55055 1/20 0.38
DEPTOR Q8TB45 1/20 0.37
POLB P06746 1/20 0.36
RORC P51449 1/20 0.35
F2 P00734 1/20 0.35
LMNA P02545 1/20 0.35
SRC P12931 1/20 0.35
ALDH1A1 P00352 2/20 0.34
DAO P14920 1/20 0.34
TSHR P16473 1/20 0.34
NAPRT Q6XQN6 1/20 0.34
CES2 O00748 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL1950214 0.78 LMNA (0.50) CES1DEPTORPOLBF2LMNA
SCHEMBL27474157 0.77 CES1 (0.43) CES1MLYCDNR1H3NR1H2POLB
SCHEMBL27513365 0.77 CES1 (0.43) CES1MLYCDNR1H3NR1H2POLB
SCHEMBL1951213 0.77 ALDH1A1 (0.44) CES1DEPTORPOLBF2LMNA
SCHEMBL1948911 0.74 DEPTOR (0.38) CES1DEPTORF2LMNAALDH1A1
SCHEMBL12546515 0.72 TDP1 (0.46) CES1F2LMNACES2TDP1
SCHEMBL28928425 0.72 CES1 (0.48) CES1MLYCDNR1H3NR1H2DEPTOR
SCHEMBL271808 0.68 CES1 (0.54) CES1POLBF2LMNASRC
Benzil SCHEMBL27543344 0.68 CES2 (0.58) CES1F2LMNAALDH1A1DAO
SCHEMBL9849003 0.68 CES1 (0.50) CES1DEPTORPOLBF2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9018411-B2 Bis-acylated hydroxylamine derivatives CARDIOXYL PHARMACEUTICALS, INC. (US) 2015-04-28 US claimed
US-9458127-B2 Bis-acylated hydroxylamine derivatives CARDIOXYL PHARMACEUTICALS, INC. (US) 2016-10-04 US disclosed
US-9458127-B2 Bis-acylated hydroxylamine derivatives CARDIOXYL PHARMACEUTICALS, INC. (US) 2016-10-04 US disclosed
US-9458127-B2 Bis-acylated hydroxylamine derivatives CARDIOXYL PHARMACEUTICALS, INC. (US) 2016-10-04 US disclosed
US-20150197502-A1 Bis-Acylated Hydroxylamine Derivatives THE JOHNS HOPKINS UNIVERSITY 2015-07-16 US disclosed
US-20150197502-A1 Bis-Acylated Hydroxylamine Derivatives THE JOHNS HOPKINS UNIVERSITY 2015-07-16 US disclosed
US-20150197502-A1 Bis-Acylated Hydroxylamine Derivatives THE JOHNS HOPKINS UNIVERSITY 2015-07-16 US disclosed
US-9018411-B2 Bis-acylated hydroxylamine derivatives CARDIOXYL PHARMACEUTICALS, INC. (US) 2015-04-28 US disclosed
US-9018411-B2 Bis-acylated hydroxylamine derivatives CARDIOXYL PHARMACEUTICALS, INC. (US) 2015-04-28 US disclosed
US-9018411-B2 Bis-acylated hydroxylamine derivatives CARDIOXYL PHARMACEUTICALS, INC. (US) 2015-04-28 US disclosed
EP-2509942-A2 BIS-ACYLATED HYDROXYLAMINE DERIVATIVES Johns Hopkins University (US) 2012-10-17 EP disclosed
WO-2011071947-A2 BIS-ACYLATED HYDROXYLAMINE DERIVATIVES JOHNS HOPKINS UNIVERSITY (US) 2011-06-16 WO disclosed
US-20110136827-A1 Bis-Acylated Hydroxylamine Derivatives THE JOHNS HOPKINS UNIVERSITY 2011-06-09 US disclosed
US-20110136827-A1 Bis-Acylated Hydroxylamine Derivatives THE JOHNS HOPKINS UNIVERSITY 2011-06-09 US disclosed
US-20110136827-A1 Bis-Acylated Hydroxylamine Derivatives THE JOHNS HOPKINS UNIVERSITY 2011-06-09 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 (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-20150197502-A1 Bis-Acylated Hydroxylamine Derivatives CPT1A, TNNI3, NOS2 CES1 526/4885MLYCD 1720/4885NR1H3 214/4885
US-20110136827-A1 Bis-Acylated Hydroxylamine Derivatives CPT1A, TNNI3, NOS2 CES1 526/4885MLYCD 1720/4885NR1H3 214/4885

“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.