SCHEMBL2774983

SCHEMBL2774983

CCOC(=O)c1c(-c2ccc(C(F)(F)F)cc2)noc1CBr

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.47
MAPT P10636 5/20 0.46
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 1/20 0.46
HSP90AA1 P07900 1/20 0.46
CRHBP P24387 1/20 0.46
KMT2A Q03164 1/20 0.46
CRHR2 Q13324 1/20 0.46
MLYCD O95822 1/20 0.44
TRPM2 O94759 1/20 0.42
DHODH Q02127 1/20 0.42
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CACNA1F O60840 1/20 0.40
ABCB1 P08183 1/20 0.40
CACNA1D Q01668 1/20 0.40
CACNA1S Q13698 1/20 0.40
CACNA1C Q13936 1/20 0.40
SLC34A1 Q06495 1/20 0.40

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
SCHEMBL2777087 0.91 THRB (0.43) MAPTKDM4EMEN1KMT2AMLYCD
SCHEMBL2775977 0.87 ALDH1A1 (0.50) GPBAR1MAPTKDM4EMEN1KMT2A
SCHEMBL2780502 0.85 GPBAR1 (0.58) GPBAR1MAPTKDM4EMEN1HSP90AA1
SCHEMBL2776047 0.84 GPBAR1 (0.48) GPBAR1MAPTKDM4EMEN1KMT2A
SCHEMBL2775786 0.84 TSHR (0.52) MAPTKDM4ENPC1ALDH1A1L3MBTL1
SCHEMBL2776718 0.84 TSHR (0.54) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL2777468 0.83 PTGS2 (0.59) GPBAR1MAPTALDH1A1SMN1; SMN2GAA
SCHEMBL2777132 0.79 GPBAR1 (0.46) GPBAR1MAPTKDM4EALDH1A1L3MBTL1
SCHEMBL5904542 0.78 MLYCD (0.50) GPBAR1MAPTKDM4EMEN1HSP90AA1
SCHEMBL2777734 0.77 POLB (0.54) GPBAR1MAPTKDM4EMEN1KMT2A

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-2227475-B1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS FIBROGEN INC (US) 2014-02-19 EP disclosed
US-8269008-B2 Oxazolopyridine and isoxazolopyridine derivatives for use in the treatment of HIF-mediated conditions FIBROGEN, INC. (US) 2012-09-18 US disclosed
US-20100303928-A1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS FIBROGEN, INC. (US) 2010-12-02 US disclosed
EP-2227475-A1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS Fibrogen, Inc. (US) 2010-09-15 EP disclosed
WO-2009073669-A1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS FIBROGEN, INC. (US) 2009-06-11 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-20100303928-A1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS HIF1AN, HIF1A, EGLN2 GPBAR1 3404/4885MAPT 3874/4885KDM4E 710/4885

“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.