SCHEMBL4092894

SCHEMBL4092894

N=C(N)CC(=O)C(=O)Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
PARP10 Q53GL7 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
SLC1A3 P43003 1/20 0.38
ACR P10323 1/20 0.38
TMPRSS15 P98073 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
F10 P00742 1/20 0.38
ALOX15 P16050 2/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ERCC5 P28715 1/20 0.37
FEN1 P39748 1/20 0.37

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
SCHEMBL11569510 0.81 ALOX15 (0.47) ATMTDP1L3MBTL1ALOX15HPGD
Diphenyl Ethanedioat SCHEMBL2254079 0.81 PARP10 (0.46) PRSS1PRSS2PRSS3PARP10MEN1
SCHEMBL8069670 0.78 MAPT (0.46) ATMTDP1L3MBTL1HSD17B10
SCHEMBL4065601 0.77 TDP1 (0.42) PRSS1PRSS2PRSS3PARP10SMN1; SMN2
Water SCHEMBL27685948 0.76 TDP1 (0.41) PRSS1PRSS2PRSS3PARP10SMN1; SMN2
SCHEMBL58882 0.75 TDP1 (0.44) MEN1KMT2AATMTDP1L3MBTL1
SCHEMBL4869116 0.74 PARP10 (0.47) PRSS1PRSS2PRSS3PARP10MEN1
Diphenyl Ethanedioat SCHEMBL43364 0.73 TDP1 (0.54) ATMTDP1L3MBTL1ALOX15HPGD
SCHEMBL237447 0.73 CES2 (0.50) SMN1; SMN2ATMTDP1L3MBTL1ALOX15
SCHEMBL11033789 0.73 TDP1 (0.42) ATMTDP1L3MBTL1ALOX15HPGD

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1236712-B1 AMIDINOPHENYLPYRUVIC ACID DERIVATIVE AJINOMOTO KK (JP) 2008-08-06 EP claimed
US-6710056-B2 PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HAVE AN EXCELLENT ANTAGONISTIC EFFECT AGAINST ACTIVATED BLOOD COAGULATION FACTOR VII. AJINOMOTO CO., INC. (JP) 2004-03-23 US claimed
US-20030109547-A1 Amidinophenylpyruvic acid derivatives AJINOMOTO CO. INC (JP) 2003-06-12 US claimed
EP-1236712-A1 AMIDINOPHENYLPYRUVIC ACID DERIVATIVE Ajinomoto Co., Inc. (JP) 2002-09-04 EP claimed
EP-1226830-A2 Combination therapy involving a sodium-hydrogen exchanger type 1 or NHE-1 inhibitor for use in treatment of ischemia Pfizer Products Inc. (US) 2002-07-31 EP claimed
US-20020099075-A1 COMBINATION THERAPY TRACEY WAYNE R (US) 2002-07-25 US claimed
US-6423705-B1 FOR ISCHEMIA BY ADMINISTERING AN NHE-1 INHIBITOR AND A SECOND COMPOUND SELECTED FROM COMPLEMENT MODULATOR, METABOLIC MODULATOR, ANTIAPOPTOTIC AGENT, NITRIC OXIDE SYNTHASE-RELATED AGENT, AND AN ENZYME/PROTEIN MODULATOR PFIZER INC. 2002-07-23 US claimed
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine MALLE GERARD 2009-08-06 US disclosed
US-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE L'OREAL S.A. 2009-06-04 US disclosed
EP-1236712-B1 AMIDINOPHENYLPYRUVIC ACID DERIVATIVE AJINOMOTO KK (JP) 2008-08-06 EP disclosed
EP-1236712-B1 AMIDINOPHENYLPYRUVIC ACID DERIVATIVE AJINOMOTO KK (JP) 2008-08-06 EP disclosed
US-20050136017-A1 Cosmetic containing an imine reactive with the cystines of keratin fibers via a beta-elimination reaction to produce dehydroalanine and lead to formation of lanthionine in a medium free of polyhydroxylated alkane; guanidine and/or amidine imines such as dimethylguanidine; noncaustic for use on hair, skin L'OREAL S.A. (FR) 2005-06-23 US disclosed
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine L'OREAL 2005-06-16 US disclosed
US-6423705-B1 FOR ISCHEMIA BY ADMINISTERING AN NHE-1 INHIBITOR AND A SECOND COMPOUND SELECTED FROM COMPLEMENT MODULATOR, METABOLIC MODULATOR, ANTIAPOPTOTIC AGENT, NITRIC OXIDE SYNTHASE-RELATED AGENT, AND AN ENZYME/PROTEIN MODULATOR PFIZER INC. 2002-07-23 US disclosed
WO-2001042199-A1 AMIDINOPHENYLPYRUVIC ACID DERIVATIVE AJINOMOTO CO.,INC. (JP) 2001-06-14 WO disclosed
US-5278189-A Antilipemic agents MATTHIAS RATH HOLDING B.V. (NL) 1994-01-11 US disclosed
US-5230996-A Use of ascorbate and tranexamic acid solution for organ and blood vessel treatment prior to transplantation THERAPY 2000 (US) 1993-07-27 US disclosed
EP-0532706-A4 REDUCTION OF CARDIOVASCULAR VESSEL OCCLUSIONS WITH ASCORBATE AND LIPOPROTEIN (A) BINDING INHIBITORS 1993-06-30 EP disclosed
EP-0532706-A1 REDUCTION OF CARDIOVASCULAR VESSEL OCCLUSIONS WITH ASCORBATE AND LIPOPROTEIN (a) BINDING INHIBITORS. THERAPY 2000 (US) 1993-03-24 EP disclosed
WO-1991019488-A1 REDUCTION OF CARDIOVASCULAR VESSEL OCCLUSIONS WITH ASCORBATE AND LIPOPROTEIN (a) BINDING INHIBITORS THERAPY 2000 (US) 1991-12-26 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 (6 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-20030109547-A1 Amidinophenylpyruvic acid derivatives HABP2, F2, F7 PRSS1 81/4885PRSS2 145/4885PRSS3 273/4885
US-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE KRT18, INMT, INHA PRSS1 3478/4885PRSS2 3242/4885PRSS3 2207/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 PRSS1 4314/4885PRSS2 3742/4885PRSS3 3079/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 PRSS1 4545/4885PRSS2 4251/4885PRSS3 3269/4885
US-20050136017-A1 Cosmetic containing an imine reactive with the cystines of keratin fibers via a beta-elimination reaction to produce dehydroalanine and lead to formation of lanthionine in a medium free of polyhydroxylated alkane; guanidine and/or amidine imines such as dimethylguanidine; noncaustic for use on hair, skin BHMT, KRT18, INMT PRSS1 2914/4885PRSS2 2903/4885PRSS3 2582/4885
US-20020099075-A1 COMBINATION THERAPY TFPI, SLC9A1, TFPI2 PRSS1 28/4885PRSS2 339/4885PRSS3 222/4885

“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.