SCHEMBL15544922

SCHEMBL15544922

O=COCc1cc(F)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.42
MMP12 P39900 2/20 0.42
MMP1 P03956 1/20 0.42
MMP9 P14780 1/20 0.42
IDO1 P14902 3/20 0.40
AGXT P21549 2/20 0.40
ALDH1A1 P00352 2/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
CACNA1C Q13936 1/20 0.40
ALKBH1 Q13686 1/20 0.36
RIPK1 Q13546 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
SCHEMBL96253 0.85 IDO1 (0.58) IDO1AGXTALDH1A1MEN1POLB
SCHEMBL15544341 0.83 FFAR4 (0.44) IDO1PSEN1PSEN2APH1BNCSTN
SCHEMBL19268067 0.81 ALDH1A1 (0.44) IDO1ALDH1A1MEN1POLBHPGD
SCHEMBL15544600 0.81 HTR2A (0.40) IDO1AGXTALDH1A1PSEN1PSEN2
SCHEMBL19268066 0.79 CYP4F2 (0.44) MMP2MMP12MMP1MMP9IDO1
SCHEMBL25771725 0.78 IDO1 (0.34) IDO1ALDH1A1SRC
SCHEMBL98043 0.76 IDO1 (0.55) MMP2MMP12MMP1MMP9IDO1
SCHEMBL12764490 0.74 MAPK14 (0.41) IDO1AGXTHTR2A
SCHEMBL29954553 0.74 PSEN1 (0.43) MMP2MMP12MMP1MMP9IDO1
SCHEMBL12016019 0.74 IDO1 (0.44) MMP2MMP12MMP1MMP9IDO1

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
US-9169270-B2 1-phenyl-substituted heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2015-10-27 US disclosed
EP-2885307-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2015-06-24 EP disclosed
US-20150158883-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICAL LTD. (CH) 2015-06-11 US disclosed
WO-2014006585-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2014-01-09 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-20150158883-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS PTGER1, PTGDR, PTGDR2 MMP2 3003/4885MMP12 2240/4885MMP1 3525/4885

“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.