SCHEMBL2851591

SCHEMBL2851591

C=C(C(=O)OC)C(O)c1ccc(C(=O)OC)nc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.39
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
CYP1A2 P05177 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 3/20 0.34
IAPP P10997 1/20 0.32
GAA P10253 2/20 0.32
PTGER4 P35408 1/20 0.32
RECQL P46063 1/20 0.32
CTSA P10619 2/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
NOTUM Q6P988 2/20 0.32
IDH1 O75874 1/20 0.31
KDM4E B2RXH2 2/20 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
SCHEMBL2849381 0.89 CASP1 (0.39) CASP1MAPK1CTSAKDM4EL3MBTL1
SCHEMBL2851181 0.89 CASP1 (0.55) CASP1SMN1; SMN2CYP1A2NPC1TP53
SCHEMBL2851376 0.82 SCN9A (0.34) MAPK1SMN1; SMN2CYP1A2NPC1TP53
SCHEMBL13500047 0.78 CASP1 (0.40) CASP1
SCHEMBL2859246 0.75 CASP1 (0.57) CASP1SMN1; SMN2CYP1A2MAPTGAA
SCHEMBL15525179 0.74 EGFR (0.45) CASP1SMN1; SMN2NPC1TP53RAB9A
SCHEMBL2849359 0.71 ALDH1A1 (0.45) MAPK1SMN1; SMN2CYP1A2NPC1TP53
SCHEMBL17144343 0.71 NOTUM (0.46) MAPK1SMN1; SMN2CYP1A2NPC1TP53
SCHEMBL30405765 0.71 NOTUM (0.46) MAPK1SMN1; SMN2CYP1A2NPC1TP53
SCHEMBL14556337 0.70 PTPN1 (0.32) MAPK1SMN1; SMN2CYP1A2NPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7666883-B2 2-[(2-Chloro-5-methyl pyridine-3-yl)(hydroxy)methyl]acrylonitrile; against chloroquine sensitive and chloroquine resistant Plasmodium falciparum; treating malarial; chemical preparation COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2010-02-23 US claimed
EP-1924558-B1 AN ANTIMALARIAL BAYLIS-HILLMAN ADDUCTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2010-01-13 EP claimed
US-20070117822-A1 Novel antimalarial baylis-hillman adducts and a process for the preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-05-24 US claimed
US-7666883-B2 2-[(2-Chloro-5-methyl pyridine-3-yl)(hydroxy)methyl]acrylonitrile; against chloroquine sensitive and chloroquine resistant Plasmodium falciparum; treating malarial; chemical preparation COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2010-02-23 US disclosed
US-7666883-B2 2-[(2-Chloro-5-methyl pyridine-3-yl)(hydroxy)methyl]acrylonitrile; against chloroquine sensitive and chloroquine resistant Plasmodium falciparum; treating malarial; chemical preparation COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2010-02-23 US disclosed
EP-1924558-B1 AN ANTIMALARIAL BAYLIS-HILLMAN ADDUCTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2010-01-13 EP disclosed
US-20070117822-A1 Novel antimalarial baylis-hillman adducts and a process for the preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-05-24 US disclosed
US-20070117822-A1 Novel antimalarial baylis-hillman adducts and a process for the preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-05-24 US disclosed
US-20070117822-A1 Novel antimalarial baylis-hillman adducts and a process for the preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-05-24 US disclosed
WO-2007032016-A1 AN ANTIMALARIAL BAYLIS-HILLMAN ADDUCTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-03-22 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-20070117822-A1 Novel antimalarial baylis-hillman adducts and a process for the preparation thereof HBS1L, SSBP1, QARS1 CASP1 931/4885MAPK1 2635/4885SMN1; SMN2 3782/4885

“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.