SCHEMBL3119062

SCHEMBL3119062

C/C(=C\c1ccccc1F)[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 4/20 0.58
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
HIF1A Q16665 1/20 0.47
TRPA1 O75762 1/20 0.44
MAPT P10636 4/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
NTSR1 P30989 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
JAK2 O60674 1/20 0.44
MITF O75030 1/20 0.44
ABL1 P00519 1/20 0.44
EGFR P00533 1/20 0.44
ABL2 P42684 1/20 0.44
NFE2L2 Q16236 1/20 0.42
NPC1 O15118 2/20 0.40

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
SCHEMBL3119067 1.00 FBP1 (0.58) FBP1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL18543104 1.00 FBP1 (0.58) FBP1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL19439378 0.80 FBP1 (0.59) FBP1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL19439379 0.80 FBP1 (0.59) FBP1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL18543740 0.80 FBP1 (0.59) FBP1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL441522 0.79 FBP1 (0.46) FBP1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8677538 0.79 TRPA1 (0.49) FBP1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL453401 0.79 FBP1 (0.46) FBP1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8677541 0.79 TRPA1 (0.49) FBP1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL28488528 0.79 FBP1 (0.58) FBP1CYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3337785-B1 PROCESS FOR THE PREPARATION OF LACTAMS FROM GLYOXYLIC ACID UNILEVER PLC (GB) 2020-03-18 EP disclosed
US-10377707-B2 Process for the preparation of lactams from glyoxalic acid CONOPCO INC. (US) 2019-08-13 US disclosed
US-20180237388-A1 PROCESS FOR THE PREPARATION OF LACTAMS FROM GLYCOXYLIC ACID Conopco, Inc., a/b/a UNILEVER (US) 2018-08-23 US disclosed
EP-3337785-A1 PROCESS FOR THE PREPARATION OF LACTAMS FROM GLYOXYLIC ACID Unilever PLC (GB) 2018-06-27 EP disclosed
WO-2017029104-A1 PROCESS FOR THE PREPARATION OF LACTAMS FROM GLYOXYLIC ACID UNILEVER PLC (GB) 2017-02-23 WO disclosed
US-20100179221-A1 FLUORINE-SUBSTITUTED AMPHETAMINES AND AMPHETAMINE DERIVATIVES AND USE THEREOF UNIVERSITAT TUBINGEN (DE) 2010-07-15 US disclosed
EP-2121571-A1 FLUORINE-SUBSTITUTED AMPHETAMINES AND AMPHETAMINE DERIVATIVES AND USE THEREOF Universität Tübingen (DE) 2009-11-25 EP disclosed
WO-2008113565-A1 FLUORINE-SUBSTITUTED AMPHETAMINES AND AMPHETAMINE DERIVATIVES AND USE THEREOF Universität Tübingen (DE) 2008-09-25 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 (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-20100179221-A1 FLUORINE-SUBSTITUTED AMPHETAMINES AND AMPHETAMINE DERIVATIVES AND USE THEREOF DBH, SLC6A3, COMT FBP1 1584/4885CYP1A2 109/4885CYP3A4 280/4885
US-10377707-B2 Process for the preparation of lactams from glyoxalic acid GLO1, PGLS, GRHPR FBP1 58/4885CYP1A2 1664/4885CYP3A4 1039/4885
US-20180237388-A1 PROCESS FOR THE PREPARATION OF LACTAMS FROM GLYCOXYLIC ACID PGLS, MGAM, GLA FBP1 243/4885CYP1A2 1452/4885CYP3A4 1593/4885

“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.