SCHEMBL16207495

SCHEMBL16207495

COC(=O)C(C)c1cc(F)c([N+](=O)[O-])cc1F

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 2/20 0.38
HCAR3 P49019 1/20 0.37
ESPL1 Q14674 1/20 0.37
KMT2A Q03164 4/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 1/20 0.36
LMNA P02545 3/20 0.36
MEN1 O00255 3/20 0.36
RAB9A P51151 1/20 0.36
CA1 P00915 1/20 0.36
MMP2 P08253 1/20 0.36
CA14 Q9ULX7 1/20 0.36
HTT P42858 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL16216341 1.00 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPTHCAR3ESPL1
SCHEMBL13465753 0.85 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MAPTKMT2ALMNA
SCHEMBL16216362 0.83 AKR1C3 (0.41) ALDH1A1SMN1; SMN2MAPTESPL1KMT2A
SCHEMBL16207553 0.83 AKR1C3 (0.41) ALDH1A1SMN1; SMN2MAPTESPL1KMT2A
SCHEMBL10777346 0.79 GAA (0.45) ALDH1A1SMN1; SMN2MAPTKMT2ATDP1
SCHEMBL25393016 0.78 GAA (0.47) ALDH1A1SMN1; SMN2MAPTKMT2APOLB
SCHEMBL4856872 0.78 ATM (0.46) ALDH1A1SMN1; SMN2ATMTDP1
SCHEMBL14797548 0.78 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2MAPTKMT2ALMNA
SCHEMBL30192959 0.78 ATM (0.46) ALDH1A1SMN1; SMN2ATMTDP1
SCHEMBL16216371 0.78 MT-CO2 (0.40) KMT2ALMNAMEN1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2799424-B1 2-FLUOROPHENYLPROPIONIC ACID DERIVATIVE LTT BIO PHARMA CO LTD (JP) 2016-08-17 EP disclosed
US-9221786-B2 2-fluorophenyl propionic acid derivatives LTT BIO-PHARMA CO., LTD. (JP) 2015-12-29 US disclosed
US-20140330026-A1 2-FLUOROPHENYL PROPIONIC ACID DERIVATIVES LTT BIO-PHARMA CO., LTD. (JP) 2014-11-06 US disclosed
EP-2799424-A1 2-FLUOROPHENYLPROPIONIC ACID DERIVATIVE LTT Bio-Pharma Co., Ltd. (JP) 2014-11-05 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 (1 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-20140330026-A1 2-FLUOROPHENYL PROPIONIC ACID DERIVATIVES FPR1, OPRK1, FPR2 ALDH1A1 57/4885SMN1; SMN2 2380/4885MAPT 2762/4885

“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.