SCHEMBL2777083

SCHEMBL2777083

CCOC(=O)c1c(-c2cccc(OC(F)(F)F)c2)noc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
POLB P06746 2/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
GPBAR1 Q8TDU6 2/20 0.51
ATM Q13315 1/20 0.50
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 2/20 0.47
PTBP1 P26599 2/20 0.47
CYP3A4 P08684 2/20 0.47
P2RY12 Q9H244 1/20 0.47
KDM4E B2RXH2 1/20 0.47
PTGS2 P35354 1/20 0.47
CYP1A2 P05177 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL13735662 0.88 GPBAR1 (0.52) TDP1POLBALOX15TSHRMAPK1
SCHEMBL13732600 0.87 GPBAR1 (0.51) TDP1POLBALOX15TSHRMAPK1
SCHEMBL13615398 0.87 SMN1; SMN2 (0.64) TDP1L3MBTL1POLBALOX15TSHR
SCHEMBL2777132 0.87 GPBAR1 (0.46) TDP1L3MBTL1POLBALOX15TSHR
SCHEMBL1776068 0.83 GPBAR1 (0.59) TDP1L3MBTL1POLBALOX15TSHR
SCHEMBL2923341 0.83 SMN1; SMN2 (0.62) TDP1L3MBTL1POLBALOX15TSHR
SCHEMBL2779302 0.81 TDP1 (0.66) TDP1L3MBTL1POLBALOX15TSHR
SCHEMBL536297 0.80 TSHR (0.74) TDP1L3MBTL1POLBALOX15TSHR
SCHEMBL27936773 0.80 GABRA5 (0.45) GPBAR1PTGS2
SCHEMBL27936769 0.78 GPBAR1 (0.45) POLBGPBAR1PTGS2

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 TDP1 2525/4885L3MBTL1 3478/4885POLB 1984/4885

“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.