Sugi Predict

Sugi Predict / Compounds / SCHEMBL639713

SCHEMBL639713

SCHEMBL639713

O=C(NCCC(C(=O)OCc1ccccc1)c1ccc(Cl)cc1)OCOC(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.45
▸ SLC6A2 P23975 1/20 0.45
▸ SLC6A3 Q01959 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ MMP2 P08253 1/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ SLC1A3 P43003 1/20 0.43
▸ SLC1A1 P43005 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ L3MBTL1 Q9Y468 4/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ CNR1 P21554 2/20 0.40

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
SCHEMBL641696 0.88 ALDH1A1 (0.44) KMT2AMMP2MMP9LMNASLC1A3
SCHEMBL638665 0.88 MMP2 (0.43) KMT2AMMP2MMP9LMNASLC1A3
SCHEMBL639235 0.86 LMNA (0.47) KMT2AMMP2MMP9LMNASLC1A3
SCHEMBL915624 0.86 PRKCA (0.42) KMT2AMMP2MMP9LMNASLC1A3
SCHEMBL917101 0.86 CCKBR (0.43) KMT2AMMP2MMP9LMNASLC1A3
SCHEMBL637669 0.85 CNR1 (0.41) SLC6A2SLC6A3MMP2MMP9SMN1; SMN2
SCHEMBL637745 0.85 UTS2R (0.42) KMT2ASLC6A2SLC6A3TDP1MMP2
SCHEMBL638476 0.84 UTS2R (0.42) KMT2ASLC6A2SLC6A3TDP1MMP2
SCHEMBL637134 0.82 SLC1A3 (0.40) KMT2AMMP2MMP9LMNASLC1A3
SCHEMBL917116 0.81 SYK (0.50) KMT2AMMP2MMP9LMNASLC1A3

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
US-10385014-B2 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use ARBOR PHARMACEUTICALS, LLC (US) 2019-08-20 — — US disclosed
US-20180258032-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE ARBOR PHARMACEUTICALS, LLC 2018-09-13 — — US disclosed
US-9944592-B2 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use XENOPORT, INC. (US) 2018-04-17 — — US disclosed
US-20170190657-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE XENOPORT, INC. (US) 2017-07-06 — — US disclosed
EP-1660440-B1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE XENOPORT INC (US) 2012-02-22 — — EP disclosed
US-20110021571-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE XENOPORT, INC. (US) 2011-01-27 — — US disclosed
US-20090234138-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS XENOPORT, INC. 2009-09-17 — — US disclosed
US-7572830-B2 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use XENOPORT, INC. (US) 2009-08-11 — — US disclosed
US-20080096960-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE XENOPORT, INC. 2008-04-24 — — US disclosed
US-7300956-B2 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use XENOPORT, INC. (US) 2007-11-27 — — US disclosed
US-20070054945-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use XENOPORT, INC. (US) 2007-03-08 — — US disclosed
US-7109239-B2 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use XENOPORT, INC. (US) 2006-09-19 — — US disclosed
US-20050107334-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use XENOPORT, INC. 2005-05-19 — — 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 (8 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-10385014-B2 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use APEH, ABAT, SI KMT2A 2442/4885SLC6A2 577/4885SLC6A3 446/4885
US-20180258032-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE APEH, ABAT, SI KMT2A 2442/4885SLC6A2 577/4885SLC6A3 446/4885
US-20080096960-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE APEH, ABAT, SI KMT2A 2442/4885SLC6A2 577/4885SLC6A3 446/4885
US-20170190657-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE APEH, ABAT, SI KMT2A 2442/4885SLC6A2 577/4885SLC6A3 446/4885
US-20070054945-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use APEH, ABAT, SI KMT2A 2442/4885SLC6A2 577/4885SLC6A3 446/4885
US-20090234138-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS APEH, ABAT, GABARAPL1 KMT2A 2415/4885SLC6A2 412/4885SLC6A3 343/4885
US-20110021571-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE APEH, ABAT, SI KMT2A 2442/4885SLC6A2 577/4885SLC6A3 446/4885
US-20050107334-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use APEH, ABAT, SI KMT2A 2442/4885SLC6A2 577/4885SLC6A3 446/4885

“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.