SCHEMBL2641529

SCHEMBL2641529

C=CCNC(NCC=C)=C(C(=O)OCC=C)C(=O)c1ccc(Br)c(OC(F)F)c1Br

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
PTP4A3 O75365 1/20 0.30
PTP4A1 Q93096 1/20 0.30

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
SCHEMBL2641530 0.77 PTP4A3 (0.30) PTP4A3PTP4A1
SCHEMBL5201639 0.77
SCHEMBL2901699 0.66 KMT2A (0.40) HPGDLMNA
SCHEMBL6643716 0.65 ERN1 (0.39) POLBHTT
SCHEMBL2898740 0.65 TSHR (0.44)
SCHEMBL5204690 0.64 MAPT (0.34) HPGDLMNAHTT
SCHEMBL2904257 0.64 MAPT (0.34) HPGDLMNAHTT
SCHEMBL5187578 0.62
SCHEMBL5177426 0.62
SCHEMBL5187579 0.61

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 POLB 282/4885HPGD 657/4885LMNA 3646/4885

“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.