SCHEMBL1230639

SCHEMBL1230639

CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)O)C(=O)N(CCCCN)CCCCN

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 14/20 0.52
▸ CTSB P07858 3/20 0.52
▸ CAPN9 O14815 2/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ CTSL P07711 3/20 0.52
▸ CTSK P43235 2/20 0.52
▸ CTSH P09668 1/20 0.52
▸ CTSS P25774 1/20 0.52
▸ CTSC P53634 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ USP2 O75604 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ BLM P54132 1/20 0.52

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
SCHEMBL9089222 0.99 CAPN1 (0.51) CAPN1CTSBCAPN9MAPK1CTSL
SCHEMBL6929670 0.85 CAPN1 (0.50) CAPN1CTSBCAPN9MAPK1CTSL
SCHEMBL11067480 0.80 CAPN1 (0.74) CAPN1CTSBCAPN9MAPK1CTSL
SCHEMBL11184932 0.79 CAPN1 (0.72) CAPN1CTSBCAPN9MAPK1CTSL
SCHEMBL11188762 0.79 CAPN1 (0.72) CAPN1CTSBCAPN9MAPK1CTSL
Hydrochloric Acid SCHEMBL9090223 0.78 MC4R (0.45) CAPN1
SCHEMBL15224395 0.77 CHRND (0.40) —
SCHEMBL22392911 0.77 CAPN1 (0.53) CAPN1CTSBCAPN9MAPK1CTSL
SCHEMBL25314124 0.77 CAPN1 (0.62) CAPN1CTSBCAPN9MAPK1CTSL
SCHEMBL25314133 0.77 CAPN1 (0.62) CAPN1CTSBCAPN9MAPK1CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2961730-A2 METHOD OF MAKING 1-(ACYLOXY)-ALKYL CARBAMATE COMPOUNDS XenoPort, Inc. (US) 2016-01-06 — — EP claimed
US-20150158809-A9 METHOD OF MAKING 1-(ACYLOXY)-ALKYL CARBAMATE COMPOUNDS XENOPORT, INC. (US) 2015-06-11 — — US claimed
WO-2014134005-A2 METHOD OF MAKING 1-(ACYLOXY)-ALKYL CARBAMATE COMPOUNDS XENOPORT, INC. (US) 2014-09-04 — — WO claimed
US-20140243544-A1 METHOD OF MAKING 1-(ACYLOXY)-ALKYL CARBAMATE COMPOUNDS XENOPORT, INC. (US) 2014-08-28 — — US claimed
CN-101486668-B Synthesis of acyloxyalkyl carbamate prodrugs and intermediates thereof XENOPORT INC 2014-07-02 — — CN claimed
US-8299291-B2 Methods of synthesizing 1-(acyloxy)-alkyl carbamate prodrugs XENOPORT, INC. (US) 2012-10-30 — — US claimed
US-8062870-B2 Enantiomerically resolving acyloxyalkyl thiocarbonates used in synthesizing acyloxyalkyl carbamate prodrugs XENOPORT, INC. (US) 2011-11-22 — — US claimed
EP-3782649-B1 BIODEGRADABLE POLYETHYLENE GLYCOL BASED WATER-INSOLUBLE HYDROGELS ASCENDIS PHARMA AS (DK) 2025-05-14 — — EP disclosed
US-20230381323-A1 RELEASABLE CONJUGATES FISH & RICHARDSON PC 2023-11-30 — — US disclosed
CN-112608307-B Heterocyclic substituted 1,3,4-oxadiazole hydrazide compound as well as preparation method and application thereof 贵州大学 2023-11-17 — — CN disclosed
US-11786599-B2 Releasable conjugates QUIAPEG PHARMACEUTICALS AB (SE) 2023-10-17 — — US disclosed
US-20230123784-A1 Biodegradable Polyethylene Glycol Based Water-Insoluble Hydrogels ASCENDIS PHARMA A/S (DK) 2023-04-20 — — US disclosed
US-11607458-B2 Enrichment-triggered chemical delivery system GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2023-03-21 — — US disclosed
US-7511158-B2 Synthesis of acyloxyalkyl carbamate prodrugs and intermediates thereof XENOPORT, INC. (US) 2009-03-31 — — US disclosed
US-20070244331-A1 Synthesis of Acyloxyalkyl Carbamate Prodrugs and Intermediates Thereof XENOPORT, INC. 2007-10-18 — — US disclosed
US-7227028-B2 Synthesis of acyloxyalkyl carbamate prodrugs and intermediates thereof XENOPORT, INC. (US) 2007-06-05 — — US disclosed
US-20070037988-A9 Formation of a thiocarbamate from a haloformic compound, dehalo-esterification, coupling an N-hydroxysuccinimide or secondary amide-containing drug; prodrugs of gabapentin and baclofen; improved bioavailability XENOPORT, INC. 2007-02-15 — — US disclosed
EP-1716115-A2 SYNTHESIS OF ACYLOXYALKYL CARBAMATE PRODRUGS AND INTERMEDIATES THEREOF Xenoport, Inc. (US) 2006-11-02 — — EP disclosed
US-20050222431-A1 Synthesis of acyloxyalkyl carbamate prodrugs and intermediates thereof XENOPORT, INC. 2005-10-06 — — US disclosed
WO-2005066122-A2 SYNTHESIS OF ACYLOXYALKYL CARBAMATE PRODRUGS AND INTERMEDIATES THEREOF XENOPORT, INC. (US) 2005-07-21 — — 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 (9 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-20050222431-A1 Synthesis of acyloxyalkyl carbamate prodrugs and intermediates thereof CPS1, ACMSD, NAAA CAPN1 131/4885CTSB 642/4885CAPN9 277/4885
US-11607458-B2 Enrichment-triggered chemical delivery system HMGB1, PAICS, CCL2 CAPN1 659/4885CTSB 27/4885CAPN9 418/4885
US-20150158809-A9 METHOD OF MAKING 1-(ACYLOXY)-ALKYL CARBAMATE COMPOUNDS CPS1, CA7, NAAA CAPN1 51/4885CTSB 317/4885CAPN9 55/4885
US-20230123784-A1 Biodegradable Polyethylene Glycol Based Water-Insoluble Hydrogels PLG, PHYKPL, PLOD3 CAPN1 1592/4885CTSB 1063/4885CAPN9 2963/4885
US-20230381323-A1 RELEASABLE CONJUGATES GUSB, ABCB11, UGT2B7 CAPN1 2054/4885CTSB 77/4885CAPN9 1164/4885
US-20140243544-A1 METHOD OF MAKING 1-(ACYLOXY)-ALKYL CARBAMATE COMPOUNDS CPS1, CA7, NAAA CAPN1 51/4885CTSB 317/4885CAPN9 55/4885
US-20070244331-A1 Synthesis of Acyloxyalkyl Carbamate Prodrugs and Intermediates Thereof CPS1, ACMSD, NAAA CAPN1 131/4885CTSB 642/4885CAPN9 277/4885
US-11786599-B2 Releasable conjugates GUSB, ABCB11, UGT2B7 CAPN1 2054/4885CTSB 77/4885CAPN9 1164/4885
US-20070037988-A9 Formation of a thiocarbamate from a haloformic compound, dehalo-esterification, coupling an N-hydroxysuccinimide or secondary amide-containing drug; prodrugs of gabapentin and baclofen; improved bioavailability SLC6A13, SLC6A11, SLC6A1 CAPN1 582/4885CTSB 1664/4885CAPN9 1126/4885

“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.

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