SCHEMBL1802306

SCHEMBL1802306

O=[N+]([O-])C=Cc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 9/20 0.57
HSP90AA1 P07900 1/20 0.44
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HIF1A Q16665 1/20 0.40
TXNRD1 Q16881 1/20 0.40
TXNRD3 Q86VQ6 1/20 0.40
TXNRD2 Q9NNW7 1/20 0.40
MEN1 O00255 1/20 0.38
TTR P02766 1/20 0.38
PPOX P50336 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE2A O00408 1/20 0.37
RXRA P19793 1/20 0.37

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
SCHEMBL1570208 1.00 FBP1 (0.57) FBP1HSP90AA1MAOAMAOBTDP1
SCHEMBL3743116 0.79 FBP1 (0.53) FBP1HSP90AA1MAOAMAOBALDH1A1
SCHEMBL3743119 0.79 FBP1 (0.53) FBP1HSP90AA1MAOAMAOBALDH1A1
SCHEMBL2077055 0.78 FBP1 (0.56) FBP1HSP90AA1TDP1ALDH1A1TSHR
SCHEMBL2077056 0.78 FBP1 (0.56) FBP1HSP90AA1TDP1ALDH1A1TSHR
SCHEMBL1800273 0.78 FBP1 (0.53) FBP1HSP90AA1MAOAMAOBALDH1A1
SCHEMBL1569597 0.78 FBP1 (0.53) FBP1HSP90AA1MAOAMAOBALDH1A1
SCHEMBL1800452 0.76 HSP90AA1 (0.47) FBP1HSP90AA1MAOAMAOBALDH1A1
SCHEMBL18252850 0.76 FBP1 (0.53) FBP1HSP90AA1ALDH1A1CYP3A4HPGD
SCHEMBL12402929 0.76 PDE2A (0.40) TDP1ALDH1A1TSHRMEN1TTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3144303-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES Array Biopharma, Inc. (US) 2017-03-22 EP disclosed
US-9556139-B2 6-substituted phenoxychroman carboxylic acid derivatives ARRAY BIOPHARMA INC. (US) 2017-01-31 US disclosed
EP-2826774-B1 Intermediates for 6-substituted phenoxychroman carboxylic acid derivatives ARRAY BIOPHARMA INC (US) 2016-05-25 EP disclosed
US-20150232442-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2015-08-20 US disclosed
US-9096567-B2 6-substituted phenoxychroman carboxylic acid derivatives ARRAY BIOPHARMA INC. (US) 2015-08-04 US disclosed
EP-2826774-A1 Intermediates for 6-substituted phenoxychroman carboxylic acid derivatives Array Biopharma, Inc. (US) 2015-01-21 EP disclosed
EP-2307397-B1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC (US) 2014-08-20 EP disclosed
US-20140221342-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2014-08-07 US disclosed
US-8716498-B2 6-substituted phenoxychroman carboxylic acid derivatives ARRAY BIOPHARMA, INC. (US) 2014-05-06 US disclosed
US-20140005418-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2014-01-02 US disclosed
US-8569522-B2 6-substituted phenoxychroman carboxylic acid derivatives ARRAY BIOPHARMA INC. (US) 2013-10-29 US disclosed
US-20110105463-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2011-05-05 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 (4 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-20140221342-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES HRH1, HRH2, HRH4 FBP1 3619/4885HSP90AA1 806/4885MAOA 207/4885
US-20110105463-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES GPR52, CD22, CD4 FBP1 3003/4885HSP90AA1 3057/4885MAOA 1631/4885
US-20150232442-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES GPR52, CD22, CD74 FBP1 2671/4885HSP90AA1 2749/4885MAOA 1771/4885
US-20140005418-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES UGT1A6, UGT2B7, UGT1A7 FBP1 247/4885HSP90AA1 1807/4885MAOA 419/4885

“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.