SCHEMBL978770

SCHEMBL978770

CC(C)CCC(CNC(=O)OC(C)OC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
TP53 P04637 1/20 0.42
CYP2D6 P10635 2/20 0.40
NPC1 O15118 5/20 0.40
HTT P42858 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
CYP1A2 P05177 1/20 0.39
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36

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
SCHEMBL978920 1.00 TSHR (0.42) TSHRTP53CYP2D6NPC1HTT
SCHEMBL2473681 0.78 NPC1 (0.52) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL18848274 0.77 TSHR (0.47) TSHRTP53CYP2D6NPC1HTT
SCHEMBL18848251 0.77 TSHR (0.47) TSHRTP53CYP2D6NPC1HTT
SCHEMBL18848364 0.77 TSHR (0.47) TSHRTP53CYP2D6NPC1HTT
SCHEMBL977047 0.77 LMNA (0.38) TSHRTP53CYP2D6NPC1HTT
SCHEMBL4300391 0.77 LMNA (0.38) TSHRTP53CYP2D6NPC1HTT
SCHEMBL17865359 0.76 SLC1A3 (0.55) HTTSMN1; SMN2LMNA
SCHEMBL978919 0.76 EGLN2 (0.40) TSHRTP53CYP2D6NPC1HTT
SCHEMBL978769 0.76 EGLN2 (0.40) TSHRTP53CYP2D6NPC1HTT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250143-B1 METHOD FOR THE ENZYMATIC KINETIC RESOLUTION OF ACYLOXYALKYL THIOCARBONATES USED FOR THE SYNTHESIS OF ACYLOXYALKYL CARBAMATES XENOPORT INC (US) 2016-04-20 EP disclosed
US-8299291-B2 Methods of synthesizing 1-(acyloxy)-alkyl carbamate prodrugs XENOPORT, INC. (US) 2012-10-30 US disclosed
US-8062870-B2 Enantiomerically resolving acyloxyalkyl thiocarbonates used in synthesizing acyloxyalkyl carbamate prodrugs XENOPORT, INC. (US) 2011-11-22 US disclosed
US-7989641-B2 Methods of synthesizing N-hydroxysuccinimidyl carbonates XENOPORT, INC. (US) 2011-08-02 US disclosed
US-7868043-B2 Mesophasic forms of (3S)-aminomethyl-5-methyl-hexanoic acid prodrugs and methods of use XENOPORT, INC. (US) 2011-01-11 US disclosed
US-20100087667-A1 METHODS OF SYNTHESIZING 1-(ACYLOXY)-ALKYL CARBAMATE PRODRUGS XENOPORT, INC. (US) 2010-04-08 US disclosed
US-20100081830-A1 METHODS OF SYNTHESIZING N-HYDROXYSUCCINIMIDYL CARBONATES XENOPORT, INC. (US) 2010-04-01 US disclosed
US-20090192325-A1 ENANTIOMERICALLY RESOLVING ACYLOXYALKYL THIOCARBONATES USED IN SYNTHESIZING ACYLOXYALKYL CARBAMATE PRODRUGS XENOPORT, INC. (US) 2009-07-30 US disclosed
US-20090192222-A1 MESOPHASIC FORMS OF (3S)-AMINOMETHYL-5-METHYL-HEXANOIC ACID PRODRUGS AND METHODS OF USE XENOPORT, INC. (US) 2009-07-30 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 (4 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-20100087667-A1 METHODS OF SYNTHESIZING 1-(ACYLOXY)-ALKYL CARBAMATE PRODRUGS CPS1, ASNS, NAAA TSHR 2124/4885TP53 1265/4885CYP2D6 64/4885
US-20100081830-A1 METHODS OF SYNTHESIZING N-HYDROXYSUCCINIMIDYL CARBONATES CPS1, SI, ASNS TSHR 4038/4885TP53 1778/4885CYP2D6 321/4885
US-20090192325-A1 ENANTIOMERICALLY RESOLVING ACYLOXYALKYL THIOCARBONATES USED IN SYNTHESIZING ACYLOXYALKYL CARBAMATE PRODRUGS AADAC, NAAA, APEH TSHR 1849/4885TP53 2996/4885CYP2D6 172/4885
US-20090192222-A1 MESOPHASIC FORMS OF (3S)-AMINOMETHYL-5-METHYL-HEXANOIC ACID PRODRUGS AND METHODS OF USE SI, ACMSD, HMBS TSHR 3309/4885TP53 1323/4885CYP2D6 126/4885

“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.