SCHEMBL2189922

SCHEMBL2189922

CCOC(=O)CCCOCC(=O)OCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
DGKA P23743 1/20 0.45
GAA P10253 2/20 0.44
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
NR1I2 O75469 1/20 0.44
PGR P06401 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
PTGS2 P35354 1/20 0.44
PDE4D Q08499 1/20 0.44
ALDH1A1 P00352 3/20 0.42
ALOX15 P16050 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SMYD3 Q9H7B4 1/20 0.41
USP2 O75604 1/20 0.41
TRPA1 O75762 1/20 0.41

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
SCHEMBL17629543 0.90 TSHR (0.50) CYP1A2DGKAGAAMGAMSI
SCHEMBL21069919 0.89 GAA (0.50) CYP1A2GAAMGAMSIMGAM2
SCHEMBL907371 0.89 CYP1A2 (0.61) CYP1A2DGKAGAAMGAMSI
SCHEMBL15440119 0.88 CES2 (0.55) CYP1A2DGKAGAAMGAMSI
SCHEMBL9316839 0.88 TSHR (0.44) CYP1A2GAAMGAMSIMGAM2
SCHEMBL24882784 0.87 GAA (0.48) CYP1A2GAAMGAMSIMGAM2
SCHEMBL2943131 0.87 CYP1A2 (0.59) CYP1A2DGKAGAAMGAMSI
SCHEMBL21070768 0.87 CES2 (0.52) CYP1A2DGKAGAAMGAMSI
SCHEMBL8988944 0.86 ALDH1A1 (0.43) CYP1A2DGKAGAAMGAMSI
Hydrochloric Acid SCHEMBL8988950 0.86 TSHR (0.43) CYP1A2GAAMGAMSIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115677491-A Preparation process of ethyl 4- (ethoxycarbonyl) methoxybutyrate 武汉市振邦生物科技有限公司 2023-02-03 CN claimed
EP-2694472-B1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2020-03-11 EP disclosed
US-9828363-B2 Fused pyrimidines as inhibitors of P97 complex CLEAVE BIOSCIENCES, INC. (US) 2017-11-28 US disclosed
US-9527807-B2 Sulfonamide derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-27 US disclosed
US-20160332990-A1 FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX CLEAVE BIOSCIENCES, INC. (US) 2016-11-17 US disclosed
US-9062026-B2 Fused pyrimidines and substituted quinazolines as inhibitors of p97 CLEAVE BIOSCIENCES, INC. (US) 2015-06-23 US disclosed
EP-2694472-A2 SULFONAMIDE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2014-02-12 EP disclosed
US-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-23 US disclosed
US-20140024661-A1 FUSED PYRIMIDINES AND SUBSTITUTED QUINAZOLINES AS INHIBITORS OF P97 CLEAVE BIOSCIENCES, INC. (US) 2014-01-23 US disclosed
WO-2012137982-A9 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-14 WO disclosed
US-20100035865-A1 Sulfonamides and Pharmaceutical Compositions Thereof PFIZER INC 2010-02-11 US disclosed
EP-2142505-A1 SULFONAMIDES AND PHARMACEUTICAL COMPOSITIONS THEREOF Pfizer, Inc. (US) 2010-01-13 EP disclosed
WO-2008120093-A1 SULFONAMIDES AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER INC. (US) 2008-10-09 WO disclosed
US-6949546-B2 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-09-27 US disclosed
US-20040058961-A1 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity KO SOO S (US) 2004-03-25 US disclosed
US-6627629-B2 Useful for the treatment or prevention of asthma and other allergic diseases. BRISTOL-MYERS SQUIBB PHARMA 2003-09-30 US disclosed
CN-1440402-A N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-09-03 CN disclosed
EP-1296978-A2 N-UREIDOHETEROCYCLOAKLYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-02 EP disclosed
US-20030032654-A1 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-02-13 US disclosed
WO-2002002525-A2 N-UREIDOHETEROCYCLOAKLYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-01-10 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-20160332990-A1 FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX WDR77, POP1, PSMG3 CYP1A2 2931/4885DGKA 3037/4885GAA 2957/4885
US-20040058961-A1 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity CCR3, CCR1, ACKR3 CYP1A2 2671/4885DGKA 2566/4885GAA 4437/4885
US-20030032654-A1 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity CCR3, CCR1, ACKR3 CYP1A2 2671/4885DGKA 2566/4885GAA 4437/4885
US-20140024661-A1 FUSED PYRIMIDINES AND SUBSTITUTED QUINAZOLINES AS INHIBITORS OF P97 PSMG3, PSMD1, PSMD3 CYP1A2 3272/4885DGKA 3706/4885GAA 177/4885
US-20100035865-A1 Sulfonamides and Pharmaceutical Compositions Thereof STS, SULT2A1, SULT1A1 CYP1A2 178/4885DGKA 3778/4885GAA 530/4885
US-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF GRIN2A, GRIN2B, SLC1A2 CYP1A2 1155/4885DGKA 2987/4885GAA 547/4885

“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.