SCHEMBL6567804

SCHEMBL6567804

COC(=O)c1cc(N)ccc1OC(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.51
GAA P10253 2/20 0.43
CETP P11597 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
PTGS1 P23219 4/20 0.37
NOTUM Q6P988 1/20 0.37
PPARA Q07869 1/20 0.37
ESRRA P11474 1/20 0.37
CISD2 Q8N5K1 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
SCHEMBL6564639 0.95 CFTR (0.47) CFTRGAACETPMRGPRX4AKR1C3
SCHEMBL6564379 0.95 CFTR (0.47) CFTRGAACETPMRGPRX4KDM4E
SCHEMBL6566067 0.94 CFTR (0.46) CFTRGAAMRGPRX4
SCHEMBL6566526 0.91 CFTR (0.43) CFTRGAACETPMRGPRX4KDM4E
SCHEMBL6565797 0.90 CFTR (0.42) CFTRGAAMRGPRX4PTGS1
SCHEMBL6566099 0.88 CFTR (0.43) CFTRGAACETPMRGPRX4KDM4E
SCHEMBL6567751 0.88 CFTR (0.42) CFTRGAAMRGPRX4KDM4EALDH1A1
SCHEMBL6567957 0.87 CFTR (0.48) CFTRGAAMRGPRX4KDM4EALDH1A1
SCHEMBL6566893 0.87 IDO1 (0.48) CFTRGAAMRGPRX4KDM4EALDH1A1
SCHEMBL6566865 0.86 GAA (0.46) CFTRGAAKDM4EALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-12-23 US disclosed
EP-1437344-A1 BENZENE DERIVATIVES,PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-07-14 EP 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-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof HRH4, HRH2, HRH1 CFTR 865/4885GAA 3305/4885CETP 4416/4885

“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.