SCHEMBL522267

SCHEMBL522267

O=C(O)C(F)(F)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
CA5A P35218 1/20 0.51
CA9 Q16790 1/20 0.51
CES1 P23141 2/20 0.48
HSD11B1 P28845 1/20 0.47
CES2 O00748 1/20 0.47
SRD5A2 P31213 1/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 3/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
POLB P06746 2/20 0.45
LMNA P02545 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
MITF O75030 1/20 0.45

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
SCHEMBL16146941 0.81 CES1 (0.57) TDP1CA1CA2CA5ACA9
SCHEMBL13199203 0.81 GRB2 (0.57) CES1CES2SRD5A2RAB9AALDH1A1
SCHEMBL2812395 0.78 TDP1 (0.53) TDP1CA1CA2CES1HSD11B1
SCHEMBL4286706 0.78 HSD11B1 (0.57) TDP1CA1CA2CA5ACA9
SCHEMBL10879986 0.78 TDP1 (0.53) TDP1CA1CA2CES1HSD11B1
SCHEMBL439543 0.77 CA1 (0.60) CA1CA2CA5ACA9HSD11B1
SCHEMBL7912766 0.77 TDP1 (0.52) TDP1CA1CA2CES1HSD11B1
SCHEMBL1646651 0.77 TDP1 (0.52) TDP1CA1CA2CES1HSD11B1
SCHEMBL3530264 0.77 TDP1 (0.52) TDP1CA1CA2CES1HSD11B1
SCHEMBL11690409 0.77 CYP1A2 (0.55) TDP1CA1CA2CA5ACA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
US-8802886-B2 Method for producing aromatic difluoroacetic acid ester CENTRAL GLASS COMPANY, LIMITED (JP) 2014-08-12 US disclosed
US-8802886-B2 Method for producing aromatic difluoroacetic acid ester CENTRAL GLASS COMPANY, LIMITED (JP) 2014-08-12 US disclosed
US-8802886-B2 Method for producing aromatic difluoroacetic acid ester CENTRAL GLASS COMPANY, LIMITED (JP) 2014-08-12 US disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
EP-2502898-A1 PREPARATION METHOD FOR AROMATIC DIFLUOROACETIC ACID ESTER Central Glass Company, Limited (JP) 2012-09-26 EP disclosed
US-20120220795-A1 METHOD FOR PRODUCING AROMATIC DIFLUOROACETIC ACID ESTER CENTRAL GLASS COMPANY, LIMITED (JP) 2012-08-30 US disclosed
US-20120220795-A1 METHOD FOR PRODUCING AROMATIC DIFLUOROACETIC ACID ESTER CENTRAL GLASS COMPANY, LIMITED (JP) 2012-08-30 US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 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 (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-20120220795-A1 METHOD FOR PRODUCING AROMATIC DIFLUOROACETIC ACID ESTER DDC, AADAC, FNTB TDP1 4760/4885CA1 115/4885CA2 184/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 TDP1 1698/4885CA1 4430/4885CA2 1560/4885

“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.