SCHEMBL278531

SCHEMBL278531

C=CC(OCCCCC)OC(N)=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
HPGD P15428 1/20 0.37
DNM1 Q05193 1/20 0.37
NAAA Q02083 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
TLR2 O60603 2/20 0.34
PLA2G2C Q5R387 1/20 0.34
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
CES2 O00748 1/20 0.33

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
Carbamic Acid SCHEMBL2813938 0.97 HCAR2 (0.36) TSHRHPGDDNM1HCAR2ALDH1A1
SCHEMBL9480754 0.85 TSHR (0.40) TSHRHPGDDNM1NAAAHCAR2
SCHEMBL6274690 0.83 TSHR (0.49) TSHRHPGDNAAAHCAR2ALDH1A1
Urea SCHEMBL28950349 0.82 TSHR (0.46) TSHRHPGDDNM1HCAR2ALDH1A1
Pregabalin SCHEMBL27230104 0.82 CACNA2D1 (0.49) DNM1
SCHEMBL6272793 0.81 TSHR (0.51) TSHRHPGDNAAAHCAR2ALDH1A1
SCHEMBL11010126 0.78 DNM1 (0.47) TSHRDNM1ALDH1A1CNR1CNR2
SCHEMBL27829562 0.77 HCAR2 (0.36) TSHRHPGDNAAAHCAR2PLA2G2C
SCHEMBL2398433 0.76 DNM1 (0.41) TSHRHPGDDNM1ALDH1A1CNR1
SCHEMBL5820402 0.75 TSHR (0.45) TSHRHPGDHCAR2ALDH1A1PLA2G2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3307727-B1 HETEROCYCLIC INHIBITORS OF ERK1 AND ERK2 AND THEIR USE IN THE TREATMENT OF CANCER ASANA BIOSCIENCES LLC (US) 2023-10-04 EP claimed
EP-3592361-B1 AMINOPHOSPHINIC DERIVATIVES FOR PREVENTING AND TREATING OCULAR INFLAMMATION IACTA PHARMACEUTICALS INC (PR) 2023-09-13 EP claimed
US-11090317-B2 Aminophosphinic derivatives for preventing and treating eye inflammation PHARMALEADS (FR) 2021-08-17 US claimed
US-20210213036-A1 AMINOPHOSPHINIC DERIVATIVES FOR PREVENTING AND TREATING EYE INFLAMMATION PHARMALEADS (FR) 2021-07-15 US claimed
US-10751332-B2 Heterocyclic inhibitors of ERK1 and ERK2 and their use in the treatment of cancer ASANA BIOSCIENCES, LLC (US) 2020-08-25 US claimed
US-10688113-B2 Methods of treating eye pain with aminophosphinic derivatives PHARMALEADS (FR) 2020-06-23 US claimed
US-20190167701-A1 Methods of Treating Eye Pain With Aminophosphinic Derivatives PHARMALEADS (FR) 2019-06-06 US claimed
US-20180344753-A1 AMINOPHOSPHINIC DERIVATIVES FOR PREVENTING AND TREATING EYE PAIN PHARMALEADS (FR) 2018-12-06 US claimed
EP-3383403-A1 AMINOPHOSPHINIC DERIVATIVES FOR PREVENTING AND TREATING EYE PAIN Pharmaleads (FR) 2018-10-10 EP claimed
WO-2018162860-A1 AMINOPHOSPHINIC DERIVATIVES FOR PREVENTING AND TREATING OCULAR INFLAMMATION PHARMALEADS (FR) 2018-09-13 WO claimed
WO-2010017498-A1 METHODS OF SYNTHESIZING N-HYDROXYSUCCINIMIDYL CARBONATES XENOPORT, INC. (US) 2010-02-11 WO claimed
WO-2009138436-A1 NOVEL AMINO ACID DERIVATIVES, METHOD FOR PREPARING SAME, AND THERAPEUTIC USE THEREOF PHARMALEADS (FR) 2009-11-19 WO claimed
US-20090216037-A1 Synthesis of Acyloxyalkyl Carbamate Prodrugs and Intermediates Thereof XENOPORT, INC. (US) 2009-08-27 US claimed
US-7511158-B2 Synthesis of acyloxyalkyl carbamate prodrugs and intermediates thereof XENOPORT, INC. (US) 2009-03-31 US claimed
JP-2007518723-A 2007-07-12 JP claimed
US-7227028-B2 Synthesis of acyloxyalkyl carbamate prodrugs and intermediates thereof XENOPORT, INC. (US) 2007-06-05 US claimed
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 claimed
EP-1716115-A2 SYNTHESIS OF ACYLOXYALKYL CARBAMATE PRODRUGS AND INTERMEDIATES THEREOF Xenoport, Inc. (US) 2006-11-02 EP claimed
US-20050222431-A1 Synthesis of acyloxyalkyl carbamate prodrugs and intermediates thereof XENOPORT, INC. 2005-10-06 US claimed
WO-2005066122-A2 SYNTHESIS OF ACYLOXYALKYL CARBAMATE PRODRUGS AND INTERMEDIATES THEREOF XENOPORT, INC. (US) 2005-07-21 WO claimed

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-20190167701-A1 Methods of Treating Eye Pain With Aminophosphinic Derivatives P2RX7, HRH3, P2RX6 TSHR 1458/4885HPGD 2738/4885DNM1 3174/4885
US-20050222431-A1 Synthesis of acyloxyalkyl carbamate prodrugs and intermediates thereof CPS1, ACMSD, NAAA TSHR 3390/4885HPGD 345/4885DNM1 751/4885
US-20090216037-A1 Synthesis of Acyloxyalkyl Carbamate Prodrugs and Intermediates Thereof CPS1, ACMSD, NAAA TSHR 3390/4885HPGD 345/4885DNM1 751/4885
US-20210213036-A1 AMINOPHOSPHINIC DERIVATIVES FOR PREVENTING AND TREATING EYE INFLAMMATION C5, CDK7, MAPK7 TSHR 2849/4885HPGD 2605/4885DNM1 3316/4885
US-10751332-B2 Heterocyclic inhibitors of ERK1 and ERK2 and their use in the treatment of cancer KRAS, NRAS, RAF1 TSHR 1261/4885HPGD 741/4885DNM1 1584/4885
US-10688113-B2 Methods of treating eye pain with aminophosphinic derivatives P2RX7, HRH3, P2RX6 TSHR 1458/4885HPGD 2738/4885DNM1 3174/4885
US-11090317-B2 Aminophosphinic derivatives for preventing and treating eye inflammation C5, CDK7, MAPK7 TSHR 2849/4885HPGD 2605/4885DNM1 3316/4885
US-20180344753-A1 AMINOPHOSPHINIC DERIVATIVES FOR PREVENTING AND TREATING EYE PAIN P2RX7, P2RY6, HRH3 TSHR 2429/4885HPGD 3803/4885DNM1 3344/4885
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 TSHR 928/4885HPGD 1302/4885DNM1 2615/4885

“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.