SCHEMBL14453586

SCHEMBL14453586

Cc1cc(C(F)(F)F)ccc1CCNS(C)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.50
▸ POLB P06746 3/20 0.48
▸ MAPT P10636 2/20 0.48
▸ DAO P14920 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ NQO2 P16083 1/20 0.44
▸ KIF11 P52732 3/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ MTNR1A P48039 1/20 0.39
▸ TRPV1 Q8NER1 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ NR1H4 Q96RI1 1/20 0.38
▸ TRPV4 Q9HBA0 1/20 0.38
▸ RXRA P19793 1/20 0.38
▸ RXRB P28702 1/20 0.38

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
SCHEMBL14453680 0.87 GAA (0.47) GAAPOLBMAPTDAOKDM4E
SCHEMBL14453678 0.83 GAA (0.70) GAAPOLBMAPTL3MBTL1
SCHEMBL14453582 0.77 DAO (0.47) MAPTDAOKDM4EHPGDHSD17B10
SCHEMBL12350607 0.75 RXRA (0.47) GAAMAPTDAOKDM4EPTGDR2
SCHEMBL16950937 0.74 DAO (0.53) DAOKDM4EKIF11PTGDR2RXRA
SCHEMBL12603811 0.74 DAO (0.51) MAPTDAOKIF11PTGDR2RXRA
SCHEMBL13158488 0.73 NQO2 (0.56) POLBMAPTDAOKDM4ENQO2
SCHEMBL12226967 0.73 DAO (0.51) DAOKIF11PTGDR2RXRARXRB
SCHEMBL4616378 0.73 TAAR1 (0.52) DAORXRARXRBRXRG
SCHEMBL14367968 0.72 KIF11 (0.51) GAAMAPTKIF11

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 1401/4885POLB 919/4885MAPT 2288/4885

“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