SCHEMBL2603682

SCHEMBL2603682

COCCOCCOCC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.50
CA2 P00918 1/20 0.36
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
ALDH1A1 P00352 6/20 0.34
TSHR P16473 3/20 0.34
NAMPT P43490 1/20 0.33
ABCB11 O95342 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADRA2B P18089 1/20 0.32
OPRD1 P41143 1/20 0.32
SCN5A Q14524 1/20 0.32
EPHX2 P34913 2/20 0.31
ASGR1 P07306 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL18467823 1.00 CES2 (0.50) CES2CA2MGAMGAASI
SCHEMBL18467770 1.00 CES2 (0.50) CES2CA2MGAMGAASI
SCHEMBL18467759 1.00 CES2 (0.50) CES2CA2MGAMGAASI
SCHEMBL29994373 1.00 CES2 (0.50) CES2CA2MGAMGAASI
SCHEMBL805276 0.97
SCHEMBL26279694 0.89 CES2 (0.58) CES2MGAMGAASIMGAM2
SCHEMBL20932195 0.89 CES2 (0.58) CES2MGAMGAASIMGAM2
SCHEMBL22198415 0.89 CES2 (0.58) CES2MGAMGAASIMGAM2
SCHEMBL24936046 0.89 CES2 (0.55) CES2MGAMGAASIMGAM2
SCHEMBL11065093 0.87 CES2 (0.61) CES2MGAMGAASIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357145-A1 C4-CARBOXYLIC ACID-SUBSTITUTED TRYPTAMINE DERIVATIVES AND METHODS OF USING Enveric Biosciences Canada Inc. (CA) 2023-11-09 US disclosed
US-20170107252-A1 PEPTIDOMIMETIC MACROCYCLES AS MODULATORS OF MCL-1 AILERON THERAPEUTICS, INC. 2017-04-20 US disclosed
US-20170037105-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2017-02-09 US disclosed
US-9303118-B2 Polyglycolic acid and copolymers thereof from C1 feedstocks UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2016-04-05 US disclosed
US-20150336898-A1 Prodrugs of Modulators of ABC Transporters VERTEX PHARMACEUTICALS INCORPORATED 2015-11-26 US disclosed
US-20150336898-A1 Prodrugs of Modulators of ABC Transporters VERTEX PHARMACEUTICALS INCORPORATED 2015-11-26 US disclosed
US-20150025218-A1 POLYGLYCOLIC ACID AND COPOLYMERS THEREOF FROM C1 FEEDSTOCKS NATIONAL SCIENCE FOUNDATION 2015-01-22 US disclosed
US-20140315790-A1 AMINOTHIAZOLES AND THEIR USES BUSHELL SIMON (US) 2014-10-23 US disclosed
US-20140243289-A1 PRODRUGS OF MODULATORS OF ABC TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-28 US disclosed
US-20140243289-A1 PRODRUGS OF MODULATORS OF ABC TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-28 US disclosed
US-20080221137-A1 Quinazolines useful as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-09-11 US disclosed
EP-1944300-A2 Prodrugs of aspartyl protease inhibitors Vertex Pharmaceuticals Incorporated (US) 2008-07-16 EP disclosed
US-20080167305-A1 QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2008-07-10 US disclosed
US-20080167305-A1 QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2008-07-10 US disclosed
EP-0933372-B1 Sulphonamide derivatives as prodrugs of aspartyl protease inhibitors VERTEX PHARMA (US) 2007-12-26 EP disclosed
WO-2007118318-A1 USE OF IMIDAZO[2,1-b)]-1,3,4-THIADIAZOLE-2-SULFONAMIDE COMPOUNDS TO TREAT NEUROPATHIC PAIN AEGERA THERAPEUTICS INC. (CA) 2007-10-25 WO disclosed
US-20070172422-A1 Exponential pattern recognition based cellular targeting compositions, methods and anticancer applications GLAZIER ARNOLD 2007-07-26 US disclosed
WO-2007075901-A2 QUINOLIN- 4 - ONE DERIVATIVES AS MODULATORS OF ABC TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 WO disclosed
WO-2007058989-A2 QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-05-24 WO disclosed
US-20070112043-A1 Acylated and non-acylated imidazo[2,1-b]-1,3,4,-thiadiazole-2-sulfonamides, and uses thereof AEGERA THERAPEUTICS, INC. (CA) 2007-05-17 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 (10 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-20230357145-A1 C4-CARBOXYLIC ACID-SUBSTITUTED TRYPTAMINE DERIVATIVES AND METHODS OF USING HTR4, HTR2C, CNR2 CES2 128/4885CA2 1644/4885MGAM 3470/4885
US-20070112043-A1 Acylated and non-acylated imidazo[2,1-b]-1,3,4,-thiadiazole-2-sulfonamides, and uses thereof AADAC, NAT1, PMP22 CES2 301/4885CA2 3327/4885MGAM 4363/4885
US-20070172422-A1 Exponential pattern recognition based cellular targeting compositions, methods and anticancer applications EPHA2, EEA1, HAVCR2 CES2 2985/4885CA2 2945/4885MGAM 3808/4885
US-20170037105-A1 PEPTIDOMIMETIC MACROCYCLES GHRHR, GHSR, GHITM CES2 4697/4885CA2 2774/4885MGAM 2095/4885
US-20140315790-A1 AMINOTHIAZOLES AND THEIR USES ABAT, AADAT, GOT2 CES2 423/4885CA2 2082/4885MGAM 807/4885
US-20150336898-A1 Prodrugs of Modulators of ABC Transporters ABCB1, CFTR, ABCB11 CES2 382/4885CA2 2292/4885MGAM 1097/4885
US-20080167305-A1 QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS KCNQ1, KCNQ2, KCNQ5 CES2 1181/4885CA2 301/4885MGAM 4662/4885
US-20140243289-A1 PRODRUGS OF MODULATORS OF ABC TRANSPORTERS ABCB1, CFTR, ABCB11 CES2 382/4885CA2 2292/4885MGAM 1097/4885
US-20080221137-A1 Quinazolines useful as modulators of voltage gated ion channels KCNQ1, KCNQ2, KCNQ5 CES2 1181/4885CA2 301/4885MGAM 4662/4885
US-20170107252-A1 PEPTIDOMIMETIC MACROCYCLES AS MODULATORS OF MCL-1 MCL1, BCL2L1, BCL2L11 CES2 4323/4885CA2 4737/4885MGAM 2262/4885

“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.