SCHEMBL1675773

SCHEMBL1675773

Cc1c(F)c(C(=O)O)cc(F)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
PKM P14618 2/20 0.42
ALDH1A1 P00352 5/20 0.40
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 1/20 0.36
HNF4A P41235 2/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL26626577 0.87 GRIN2D (0.44) TSHRPKMALDH1A1GRIN2DGRIN3B
SCHEMBL9556077 0.84 PKM (0.45) TSHRPKMALDH1A1TP53HTT
SCHEMBL18225530 0.83 PKM (0.45) TSHRPKMALDH1A1GRIN2DGRIN3B
SCHEMBL7009698 0.83 PDGFRB (0.41) PKMALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL7009750 0.81 PKM (0.58) TSHRPKMALDH1A1HTTTDP1
SCHEMBL2687218 0.81 PKM (0.41) TSHRPKMALDH1A1CYP1A2CYP2D6
SCHEMBL18704806 0.81 TSHR (0.41) TSHRPKMALDH1A1GRIN2DGRIN3B
SCHEMBL17010520 0.79 TSHR (0.53) TSHRALDH1A1MAPTTDP1DTYMK
SCHEMBL543918 0.78 TSHR (0.51) TSHRPKMALDH1A1GRIN2DGRIN3B
SCHEMBL450176 0.78 ALDH1A1 (0.51) TSHRPKMALDH1A1GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2564850-B1 Polo-like kinase inhibitors TAKEDA PHARMACEUTICAL (JP) 2014-08-13 EP disclosed
EP-2205241-B1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-05-21 EP disclosed
EP-2564850-A1 Polo-like kinase inhibitors Takeda Pharmaceutical Company Limited (JP) 2013-03-06 EP disclosed
US-8318727-B2 Polo-like kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-8026234-B2 Polo-like kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-27 US disclosed
US-20110201818-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-18 US disclosed
US-20110082111-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-07 US disclosed
EP-2205241-A1 POLO-LIKE KINASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-07-14 EP disclosed
US-20090281092-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-12 US disclosed
WO-2009042711-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 WO disclosed
EP-0945435-B1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMA CO LTD (JP) 2003-08-13 EP disclosed
US-6136823-A BACTERICIDES OR VIRICIDES WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
EP-0945435-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 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 (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-20090281092-A1 POLO-LIKE KINASE INHIBITORS PLK1, PLK2, POLK TSHR 4284/4885PKM 451/4885ALDH1A1 4009/4885
US-20110201818-A1 POLO-LIKE KINASE INHIBITORS PLK1, PLK2, POLK TSHR 4284/4885PKM 451/4885ALDH1A1 4009/4885
US-20110082111-A1 POLO-LIKE KINASE INHIBITORS PLK1, PLK2, POLK TSHR 4284/4885PKM 451/4885ALDH1A1 4009/4885

“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.