SCHEMBL7512545

SCHEMBL7512545

CCCCC(CCC)C(O)=S

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.48
MAPK1 P28482 1/20 0.48
CHRM1 P11229 1/20 0.44
AKR1A1 P14550 1/20 0.44
CHRM3 P20309 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
ADRA1A P35348 1/20 0.44
HRH1 P35367 1/20 0.44
DRD3 P35462 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA1 P00915 4/20 0.41
SLC1A2 P43004 2/20 0.41
SLC1A1 P43005 2/20 0.41
SLC1A3 P43003 1/20 0.41
CYP3A4 P08684 2/20 0.37
TSHR P16473 2/20 0.37

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
SCHEMBL6413695 0.93 GRIK1 (0.42) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL7507487 0.91 CA2 (0.45) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL7511769 0.91 CA2 (0.45) CA2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL18281636 0.91 CA2 (0.45) CA2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL7509833 0.91 CA2 (0.45) CA2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL11061351 0.89 CHRM1 (0.52) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL1649192 0.88 CA2 (0.52) CA2MAPK1SLC1A2SLC1A1GRIK1
SCHEMBL7515982 0.88 CA2 (0.52) CA2MAPK1SLC1A2SLC1A1GRIK1
SCHEMBL76197 0.85 CA2 (0.48) CA2MAPK1SLC1A2SLC1A1GRIK1
SCHEMBL8324703 0.85 CA2 (0.48) CA2MAPK1SLC1A2SLC1A1GRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2620494-B1 SYNTHESIS OF POLYHYDROXYALKANOATES (PHA) WITH THIOESTER GROUPS IN THE SIDE CHAIN CONSEJO SUPERIOR DE INVESTIG CIENTÍFICAS (CSIC) (ES) 2017-02-22 EP disclosed
US-20130274510-A1 SYNTHESIS OF POLYHYDROXYALKANOATES (PHA) WITH THIOESTER GROUPS IN THE SIDE CHAIN CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) 2013-10-17 US disclosed
EP-2620494-A1 SYNTHESIS OF POLYHYDROXYALKANOATES (PHA) WITH THIOESTER GROUPS IN THE SIDE CHAIN Consejo Superior De Investigaciones Científicas (CSIC) (ES) 2013-07-31 EP disclosed
US-6495152-B2 BIOPOLYMER INCLUDING SULFUR IN THE FORM OF A THIOESTER IN THE POLYMER BACKBONE OR A THIOETHER IN THE POLYMER SIDE CHAINS, PRODUCED BY FERMENTATION OF BACTERIA; USE AS ANTIBACTERIAL COATING, ELECTROLYTE TEPHA, INC. 2002-12-17 US disclosed
US-20020183502-A1 Backbone-modified oligonucleotide analogs and methods for using same MESMAEKER ALAIN DE (CH) 2002-12-05 US disclosed
US-20020106764-A1 Sulfur containing polyhydroxyalkanoate compositions and method of production TEPHA, INC. 2002-08-08 US disclosed
WO-2002016627-A2 SULFUR CONTAINING POLYHYDROXYALKANOATE COMPOSITIONS AND METHOD OF PRODUCTION TEPHA, INC. (US) 2002-02-28 WO disclosed
WO-1995033731-A1 HYDROXAMIC ACID DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 1995-12-14 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-20020183502-A1 Backbone-modified oligonucleotide analogs and methods for using same RNGTT, RNASE1, ADAR CA2 4492/4885MAPK1 4674/4885CHRM1 4884/4885
US-20130274510-A1 SYNTHESIS OF POLYHYDROXYALKANOATES (PHA) WITH THIOESTER GROUPS IN THE SIDE CHAIN COASY, FADS1, ABHD5 CA2 3800/4885MAPK1 3829/4885CHRM1 4106/4885

“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.