SCHEMBL2132111

SCHEMBL2132111

COc1nc(C(F)(F)F)ccc1/C=C/[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.43
FBP1 P09467 10/20 0.42
VCP P55072 2/20 0.39
LMNA P02545 6/20 0.38
MAPT P10636 6/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPK1 P28482 3/20 0.38
HTT P42858 2/20 0.38
MITF O75030 1/20 0.38
HSP90AA1 P07900 1/20 0.38
RXRA P19793 1/20 0.38
NPSR1 Q6W5P4 5/20 0.37
HPGD P15428 3/20 0.37
NTSR1 P30989 2/20 0.37
ALOX12 P18054 1/20 0.37
CCR6 P51684 1/20 0.37
MCL1 Q07820 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GALR2 O43603 1/20 0.37
EGFR P00533 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
SCHEMBL2132119 1.00 PRMT1 (0.43) PRMT1FBP1VCPLMNAMAPT
SCHEMBL2131813 0.79 PDE4B (0.39) LMNAALDH1A1HTTMITFNPSR1
SCHEMBL30971780 0.79 PDE4B (0.39) LMNAALDH1A1HTTMITFNPSR1
SCHEMBL14920924 0.78 FBP1 (0.45) PRMT1FBP1VCPLMNAMAPT
SCHEMBL14920926 0.78 FBP1 (0.45) PRMT1FBP1VCPLMNAMAPT
SCHEMBL19172446 0.77 MAPT (0.46) LMNAMAPTALDH1A1MAPK1HTT
SCHEMBL2129111 0.77 ALDH1A1 (0.42) PRMT1FBP1VCPLMNAMAPT
SCHEMBL2129117 0.77 ALDH1A1 (0.42) PRMT1FBP1VCPLMNAMAPT
SCHEMBL29628340 0.75 NT5E (0.35) LMNAMAPTALDH1A1HTTMITF
SCHEMBL2132400 0.75 PRMT1 (0.42) PRMT1FBP1VCPLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379535-B1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC (US) 2016-06-15 EP disclosed
US-8785445-B2 7-phenoxychroman carboxylic acid derivatives ARRAY BIOPHARMA INC. (US) 2014-07-22 US disclosed
US-20120101103-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2012-04-26 US disclosed
EP-2379535-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES Array Biopharma Inc. (US) 2011-10-26 EP disclosed
WO-2010075200-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2010-07-01 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 (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-20120101103-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES PTGDR2, PTGDR, HRH2 PRMT1 1086/4885FBP1 4368/4885VCP 4716/4885

“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.