SCHEMBL3883788

SCHEMBL3883788

O=C(NC[C@@H](F)CS(=O)O)OCCOC(=O)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
ALDH1A1 P00352 7/20 0.33
TSHR P16473 1/20 0.33
MDM2 Q00987 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL3885293 1.00 ADRB2 (0.38) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL3882871 0.90 ADRB2 (0.38) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL3886307 0.90 ADRB2 (0.38) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL3883733 0.86 ADRB2 (0.41) ADRB2ADRB1ADRB3ALDH1A1MEN1
SCHEMBL3891100 0.86 ADRB2 (0.41) ADRB2ADRB1ADRB3ALDH1A1MEN1
SCHEMBL1889531 0.80 ADRB2 (0.39) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL1884860 0.80 ADRB2 (0.39) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL3889490 0.76 ADRB2 (0.41) ADRB2ADRB1ADRB3ALDH1A1MEN1
SCHEMBL3886310 0.76 ADRB2 (0.41) ADRB2ADRB1ADRB3ALDH1A1MEN1
SCHEMBL1882627 0.76 ADRB2 (0.43) ADRB2ADRB1ADRB3ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566738-B2 Acyloxyalkyl carbamate prodrugs of sulfinic acids, methods of synthesis, and use XENOPORT, INC. (US) 2009-07-28 US disclosed
US-20080242723-A1 ACYLOXYALKYL CARBAMATE PRODRUGS OF SULFINIC ACIDS, METHODS OF SYNTHESIS, AND USE XENOPORT, INC. (US) 2008-10-02 US disclosed
US-20060111439-A1 Acyloxyalkyl carbamate prodrugs of sulfinic acids, methods of synthesis, and use XENOPORT, INC. 2006-05-25 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 (2 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-20080242723-A1 ACYLOXYALKYL CARBAMATE PRODRUGS OF SULFINIC ACIDS, METHODS OF SYNTHESIS, AND USE ASS1, APEH, ACMSD ADRB2 3867/4885ADRB1 3477/4885ADRB3 2295/4885
US-20060111439-A1 Acyloxyalkyl carbamate prodrugs of sulfinic acids, methods of synthesis, and use ASS1, APEH, ACMSD ADRB2 3867/4885ADRB1 3477/4885ADRB3 2295/4885

“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.