SCHEMBL1571685

SCHEMBL1571685

CC(=O)OCCC(S)C(C)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.44
ALDH1A1 P00352 4/20 0.43
CHRNB2 P17787 3/20 0.41
CHRNA4 P43681 3/20 0.41
CHRM5 P08912 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
PGR P06401 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
HTR1A P08908 1/20 0.41
TBXA2R P21731 1/20 0.41
CHRNA7 P36544 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHRNA10 Q9GZZ6 1/20 0.41
CHRNA9 Q9UGM1 1/20 0.41
TSHR P16473 1/20 0.41
GALR3 O60755 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
SCHEMBL19491606 0.81 ALDH1A1 (0.43) ALOX15ALDH1A1CHRNB2CHRNA4CHRM5
SCHEMBL20446689 0.79
SCHEMBL29655367 0.79
SCHEMBL27529959 0.76 ALOX15 (0.47) ALOX15ALDH1A1CHRNB2CHRNA4CHRM5
SCHEMBL4759548 0.76 ALOX15 (0.47) ALOX15ALDH1A1CHRNB2CHRNA4CHRM5
SCHEMBL19896370 0.76 ALDH1A1 (0.46) ALOX15ALDH1A1CHRNB2CHRNA4CHRM5
SCHEMBL1040130 0.76 ALOX15 (0.43) ALOX15ALDH1A1CHRNB2CHRNA4CHRM5
SCHEMBL3205425 0.75 ALDH1A1 (0.50) ALOX15ALDH1A1CHRNB2CHRNA4CHRM5
SCHEMBL11826430 0.74 ALOX15 (0.50) ALOX15ALDH1A1CHRNB2CHRNA4CHRM5
SCHEMBL260591 0.74 ALOX15 (0.46) ALOX15ALDH1A1CHRNB2CHRNA4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178300-A1 NOVEL SYNTHESIS OF SUBSTITUTED 4-AMINO-PYRIMIDINES DSM IP ASSETS B.V. (NL) 2011-07-21 US claimed
EP-2307355-A1 Novel synthesis of substituted 4-amino-pyrimidines DSM IP Assets B.V. (NL) 2011-04-13 EP claimed
WO-2010010113-A1 Novel synthesis of substituted 4-amino-pyrimidines DSM IP ASSETS B.V. (NL) 2010-01-28 WO claimed
US-20080242863-A1 Process For the Manufacture of a Precursor of Vitamin B1 DSM IP ASSETS B.V. (NL) 2008-10-02 US claimed
EP-1841745-B1 PROCESS FOR THE MANUFACTURE OF A PRECURSOR OF VITAMIN B1 DSM IP ASSETS BV (NL) 2008-06-04 EP claimed
EP-1841745-A2 PROCESS FOR THE MANUFACTURE OF A PRECURSOR OF VITAMIN B1 DSMIP Assets B.V. (NL) 2007-10-10 EP claimed
WO-2006079504-A2 PROCESS FOR THE MANUFACTURE OF A PRECURSOR OF VITAMIN B1 DSM IP ASSETS B.V. (NL) 2006-08-03 WO claimed
CN-116283843-A Process for preparing alpha-acetyl-gamma-butyrolactone 新乡瑞诺药业有限公司 2023-06-23 CN disclosed
CN-108299345-B Preparation method of alpha-acetyl-gamma-butyrolactone 东北制药集团股份有限公司 2021-06-11 CN disclosed
EP-2888237-B1 METHOD FOR PREPARATION OF THIAZOLE DERIVATIVES DSM IP ASSETS BV (NL) 2017-10-18 EP disclosed
US-9108925-B2 Process for the manufacture of a precursor of vitamin B1 DSM IP ASSETS B.V. (NL) 2015-08-18 US disclosed
EP-2307355-B1 Novel synthesis of substituted 4-amino-pyrimidines DSM IP ASSETS BV (NL) 2013-11-06 EP disclosed
US-8252927-B2 Synthesis of substituted 4-amino-pyrimidines DSM IP ASSETS B.V. (NL) 2012-08-28 US disclosed
US-20110178300-A1 NOVEL SYNTHESIS OF SUBSTITUTED 4-AMINO-PYRIMIDINES DSM IP ASSETS B.V. (NL) 2011-07-21 US disclosed
EP-2307355-A1 Novel synthesis of substituted 4-amino-pyrimidines DSM IP Assets B.V. (NL) 2011-04-13 EP disclosed
WO-2010010113-A1 Novel synthesis of substituted 4-amino-pyrimidines DSM IP ASSETS B.V. (NL) 2010-01-28 WO disclosed
US-20080242863-A1 Process For the Manufacture of a Precursor of Vitamin B1 DSM IP ASSETS B.V. (NL) 2008-10-02 US disclosed
EP-1841745-B1 PROCESS FOR THE MANUFACTURE OF A PRECURSOR OF VITAMIN B1 DSM IP ASSETS BV (NL) 2008-06-04 EP disclosed
EP-1841745-A2 PROCESS FOR THE MANUFACTURE OF A PRECURSOR OF VITAMIN B1 DSMIP Assets B.V. (NL) 2007-10-10 EP disclosed
WO-2006079504-A2 PROCESS FOR THE MANUFACTURE OF A PRECURSOR OF VITAMIN B1 DSM IP ASSETS B.V. (NL) 2006-08-03 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 (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-20080242863-A1 Process For the Manufacture of a Precursor of Vitamin B1 ADH1B, SLC19A2, ADH4 ALOX15 278/4885ALDH1A1 107/4885CHRNB2 2699/4885
US-20110178300-A1 NOVEL SYNTHESIS OF SUBSTITUTED 4-AMINO-PYRIMIDINES IL4I1, CCNB1, VKORC1 ALOX15 1214/4885ALDH1A1 831/4885CHRNB2 2092/4885

“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.