SCHEMBL731666

SCHEMBL731666

C=CCC(CC=C)=C(N)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
FGFR4 P22455 1/20 0.35
LDHA P00338 1/20 0.32
LDHB P07195 1/20 0.32
HTT P42858 1/20 0.31
LMNA P02545 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
SCHEMBL729425 0.82 ALDH1A1 (0.36) ALDH1A1TSHRFGFR4
SCHEMBL8570758 0.80 ALDH1A1 (0.35) ALDH1A1TSHRFGFR4LDHALDHB
SCHEMBL8760513 0.80 ALDH1A1 (0.35) ALDH1A1TSHRFGFR4LDHALDHB
SCHEMBL8105045 0.76 ALDH1A1 (0.32) ALDH1A1TSHRFGFR4LMNA
SCHEMBL729717 0.74 LMNA (0.33) ALDH1A1TSHRLMNA
SCHEMBL211112 0.72 LMNA (0.32) LMNA
Urea SCHEMBL11879610 0.70 ALDH1A1 (0.45) ALDH1A1TSHRFGFR4LDHALDHB
SCHEMBL362181 0.70 ALDH1A1 (0.35) ALDH1A1LMNA
SCHEMBL8575133 0.70 ALDH1A1 (0.35) ALDH1A1TSHRFGFR4
SCHEMBL8570759 0.70 ALDH1A1 (0.35) ALDH1A1TSHRFGFR4LDHALDHB

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 13 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
US-8629288-B2 Method for the regioselective synthesis of 1-alky1-3-haloalkyl-pyrazole-4-carboxylic acid derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-14 US disclosed
US-8350053-B2 Process for the regioselective preparation of 1-alkyl-3-haloalkylpyrazole-4-carboxylic acid derivatives BAYER CROPSCIENCE AG (DE) 2013-01-08 US disclosed
US-8136676-B2 a membrane or fibers composed of or coated with methoxyethyl methacrylate/2-/-di(ethylene glycol)ethyl ether methacrylate-2-(diethylamino)ethyl methacrylate terpolymer for the selective removal, reduction or separation of white blood cells and/or platelets from blood by passing blood through the medium UNIVERSITY OF SOUTHAMPTON (GB) 2012-03-20 US disclosed
US-20110028735-A1 Process for the Regioselective Preparation of 1-Alkyl-3-haloalkylpyrazole-4-carboxylic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2011-02-03 US disclosed
US-20110009642-A1 Method for the Regioselective Synthesis of 1-Alkyl-3-haloalkyl-pyrazole-4-carboxylic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2011-01-13 US disclosed
US-20080190843-A1 Polymers Useful as Medical Materials UNIVERSITY OF SOUTHAMPTON (GB) 2008-08-14 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 (3 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-20110028735-A1 Process for the Regioselective Preparation of 1-Alkyl-3-haloalkylpyrazole-4-carboxylic Acid Derivatives HCAR3, AADAC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ALDH1A1 68/4885TSHR 3439/4885FGFR4 875/4885
US-20110009642-A1 Method for the Regioselective Synthesis of 1-Alkyl-3-haloalkyl-pyrazole-4-carboxylic Acid Derivatives ATL3, HCAR3, AADAC ALDH1A1 104/4885TSHR 2648/4885FGFR4 1464/4885
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 ALDH1A1 1331/4885TSHR 3668/4885FGFR4 3709/4885

“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.