SCHEMBL2777087

SCHEMBL2777087

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.43
TP53 P04637 2/20 0.42
DHODH Q02127 1/20 0.42
CACNA1F O60840 1/20 0.41
ABCB1 P08183 1/20 0.41
CACNA1D Q01668 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
MAPT P10636 3/20 0.41
MLYCD O95822 1/20 0.41
ALDH1A1 P00352 4/20 0.41
POLB P06746 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 3/20 0.41
MAPK1 P28482 2/20 0.41
RECQL P46063 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 2/20 0.40
PTGS2 P35354 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
SCHEMBL2774983 0.91 GPBAR1 (0.47) DHODHCACNA1FABCB1CACNA1DCACNA1S
SCHEMBL2776047 0.86 GPBAR1 (0.48) TP53MAPTALDH1A1POLBSMN1; SMN2
SCHEMBL2775977 0.86 ALDH1A1 (0.50) TP53CACNA1FABCB1CACNA1DCACNA1S
SCHEMBL2775786 0.86 TSHR (0.52) CACNA1FCACNA1DCACNA1SCACNA1CMAPT
SCHEMBL2777734 0.86 POLB (0.54) CACNA1FABCB1CACNA1DCACNA1SCACNA1C
SCHEMBL2776718 0.86 TSHR (0.54) CACNA1FCACNA1DCACNA1SCACNA1CMAPT
SCHEMBL2777468 0.85 PTGS2 (0.59) TP53MAPTALDH1A1POLBSMN1; SMN2
SCHEMBL3663852 0.83 DHODH (0.43) TP53DHODHMAPTALDH1A1SMN1; SMN2
SCHEMBL2777986 0.78 TDP1 (0.51) TP53CACNA1FABCB1CACNA1DCACNA1S
SCHEMBL2777132 0.77 GPBAR1 (0.46) TP53CACNA1FABCB1CACNA1DCACNA1S

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 THRB 1832/4885TP53 1685/4885DHODH 157/4885

“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.