SCHEMBL4145149

SCHEMBL4145149

CN(C(=O)NC1CCOCC1)c1ccc(SC(F)(F)F)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 1/20 0.36
TACR1 P25103 1/20 0.36
TACR3 P29371 1/20 0.36
EPHX2 P34913 3/20 0.35
PKM P14618 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MAPK1 P28482 1/20 0.34
KDM1A O60341 3/20 0.33
ALOX5 P09917 1/20 0.33
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33
MMP14 P50281 1/20 0.33
PDK2 Q15119 1/20 0.33

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
SCHEMBL4154041 0.92 EPHX2 (0.39) EPHX2PKMMAPK1UBE2MDCUN1D1
SCHEMBL4149562 0.89 PKM (0.47) TACR2TACR1EPHX2PKMMAPK1
SCHEMBL13774570 0.88 HDAC4 (0.36) TACR2TACR1TACR3EPHX2PKM
SCHEMBL4158059 0.80 CASR (0.37) HDAC4HDAC6ALOX5MMP1MMP2
SCHEMBL4149723 0.79 TSHR (0.38) EPHX2MAPK1PDK2
SCHEMBL4163032 0.78 PDK2 (0.33) EPHX2UBE2MDCUN1D1PDK2KCNK3
SCHEMBL4141923 0.78 PTGIR (0.36) PDK2
SCHEMBL4142460 0.78 LMNA (0.35) EPHX2MAPK1PDK2
SCHEMBL4150565 0.76 CASR (0.43) TACR1TACR3EPHX2
SCHEMBL4150979 0.76 HPGD (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090176786-A1 Benzoylurea Compounds and Use Thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-07-09 US disclosed
EP-1937629-A2 BENZOYLUREA COMPOUNDS AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2008-07-02 EP disclosed
WO-2007046513-A2 BENZOYLUREA COMPOUNDS AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-04-26 WO disclosed
WO-2007046513-A2 BENZOYLUREA COMPOUNDS AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-04-26 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-20090176786-A1 Benzoylurea Compounds and Use Thereof BTK, BRIX1, NFXL1 TACR2 2225/4885TACR1 1940/4885TACR3 1474/4885

“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.