SCHEMBL2639006

SCHEMBL2639006

CCNC(=CC(=O)O)NCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
TSHR P16473 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
KMT2A Q03164 1/20 0.36
MCL1 Q07820 1/20 0.34
FAAH O00519 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
ATM Q13315 1/20 0.32
FFAR3 O14843 1/20 0.32
PKM P14618 1/20 0.32
EPHX2 P34913 1/20 0.32
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31

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
SCHEMBL490025 0.77
SCHEMBL4222784 0.77
SCHEMBL18666945 0.73 KDM4E (0.33) KDM4ETSHRMMP1MMP2MMP3
SCHEMBL5176269 0.73 ALDH1A1 (0.47) KDM4ETSHRMMP1MMP2MMP3
SCHEMBL1061979 0.72 HDAC3 (0.39) KDM4ETSHRMMP1MMP2MMP3
SCHEMBL13185390 0.72 KDM4E (0.41) KDM4ETSHRMMP1MMP2MMP3
SCHEMBL23277368 0.70 ALDH1A1 (0.40) KDM4ETSHRMMP1MMP2MMP3
SCHEMBL27902903 0.70 ALDH1A1 (0.40) KDM4ETSHRMMP1MMP2MMP3
SCHEMBL2641199 0.70 TSHR (0.46) KDM4ETSHRKMT2AFAAHALDH1A1
SCHEMBL2094399 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4751557-B2 2011-08-17 JP claimed
EP-1278717-B1 ONE-POT SYNTHESIS OF ALKYL 3-CYCLOPROPYLAMINO-2- 2,4-DIBROMO-3-(DIFLUOROMETHOXY)BENZOYL|-2-PROPENOATE AS A USEFUL INTERMEDIATE FOR ANTIBACTERIAL QUINOLONE MEDICAMENTS RANBAXY LAB LTD (IN) 2007-06-06 EP claimed
EP-1278717-A4 ONE-POT SYNTHESIS OF ALKYL 3-CYCLOPROPYLAMINO-2- 2,4-DIBROMO-3-(DIFLUOROMETHOXY)BENZOYL]-2-PROPENOATE AS A USEFUL INTERMEDIATE FOR ANTIBACTERIAL QUINOLONE MEDICAMENTS RANBAXY LAB LTD (IN) 2005-06-08 EP claimed
US-20040267019-A1 ONE-POT SYNTHESIS OF ALKYL 3-CYCLOPROPYLAMINO -2-[2,4-DIBROMO-3-(DIFLUROMETHOXY) BENZOYL]-2-PROPENOATE AS A USEFUL INTERMEDIATE FOR ANTIBACTERIAL QUINOLONE MEDICAMENTS TOYAMA CHEMICAL COMPANY, LIMITED (JP) 2004-12-30 US claimed
US-6835848-B1 Reacting 2,4-dibromo-3-(difluoromethoxy)benzoic acid with a halogenating agent to get a corresponding acid chloride, then reacting with a 3-(dialkylamino)acrylic acid alkyl ester and then cyclopropylamine RANBAXY LABORATORIES LIMITED (IN) 2004-12-28 US claimed
EP-1278717-A1 ONE-POT SYNTHESIS OF ALKYL 3-CYCLOPROPYLAMINO-2- 2,4-DIBROMO-3-(DIFLUOROMETHOXY)BENZOYL]-2-PROPENOATE AS A USEFUL INTERMEDIATE FOR ANTIBACTERIAL QUINOLONE MEDICAMENTS Ranbaxy Laboratories Limited (IN) 2003-01-29 EP claimed
WO-2001066512-A1 ONE-POT SYNTHESIS OF ALKYL 3-CYCLOPROPYLAMINO-2-[2,4-DIBROMO-3-(DIFLUOROMETHOXY)BENZOYL]-2-PROPENOATE AS A USEFUL INTERMEDIATE FOR ANTIBACTERIAL QUINOLONE MEDICAMENTS RANBAXY LABORATORIES LIMITED (IN) 2001-09-13 WO claimed

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-20040267019-A1 ONE-POT SYNTHESIS OF ALKYL 3-CYCLOPROPYLAMINO -2-[2,4-DIBROMO-3-(DIFLUROMETHOXY) BENZOYL]-2-PROPENOATE AS A USEFUL INTERMEDIATE FOR ANTIBACTERIAL QUINOLONE MEDICAMENTS TET2, TET3, TET1 KDM4E 246/4885TSHR 3668/4885MMP1 4623/4885

“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.