SCHEMBL14453680

SCHEMBL14453680

CS(=O)(=O)NCCc1ccc(C(F)(F)F)cc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.47
▸ MAPT P10636 3/20 0.45
▸ POLB P06746 2/20 0.45
▸ KDM4E B2RXH2 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ CFTR P13569 1/20 0.41
▸ NQO2 P16083 1/20 0.41
▸ KIF11 P52732 2/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.37
▸ MTNR1A P48039 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ DAO P14920 1/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ NR1H4 Q96RI1 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
SCHEMBL14453586 0.87 GAA (0.50) GAAMAPTPOLBKDM4EHPGD
SCHEMBL14453678 0.80 GAA (0.70) GAAMAPTPOLBALDH1A1L3MBTL1
SCHEMBL27617336 0.78 CFTR (0.41) GAAMAPTKDM4EHPGDHSD17B10
SCHEMBL14453681 0.77 CFTR (0.48) MAPTKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL14367955 0.76 ALDH1A1 (0.52) GAAMAPTKDM4EHPGDHSD17B10
SCHEMBL26906947 0.74 KIF11 (0.57) GAAMAPTPOLBKDM4EHPGD
SCHEMBL3295201 0.73 NQO2 (0.61) MAPTPOLBKDM4EHPGDHSD17B10
SCHEMBL13158488 0.73 NQO2 (0.56) MAPTPOLBKDM4EALDH1A1NQO2
SCHEMBL8764873 0.72 L3MBTL1 (0.43) GAAMAPTKDM4EHPGDHSD17B10
SCHEMBL6479994 0.72 ALDH1A1 (0.47) GAAMAPTKDM4EHPGDHSD17B10

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-20070161677-A1 Bisarylurea derivatives MERCK PATENT GMBH (DE) 2007-07-12 — — US disclosed
US-20070161677-A1 Bisarylurea derivatives MERCK PATENT GMBH (DE) 2007-07-12 — — US 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-20070161677-A1 Bisarylurea derivatives BRAF, RAF1, NRAS GAA 1401/4885MAPT 2288/4885POLB 919/4885

“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.

Send feedback