SCHEMBL3615672

SCHEMBL3615672

CCCOC(CCC)(C(=O)O)C(O)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 1/20 0.32
ACLY P53396 1/20 0.32
PPARG P37231 2/20 0.32
PPARA Q07869 2/20 0.32
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
LMNA P02545 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
SCHEMBL284646 0.83 GPR84 (0.34) CPT2ACLYPPARGPPARA
SCHEMBL29061780 0.81 GPR84 (0.37)
SCHEMBL29061782 0.81 GPR84 (0.37)
SCHEMBL9753360 0.81 GPR84 (0.37)
SCHEMBL25393911 0.80 CYP2C9 (0.31)
SCHEMBL8935620 0.80 GPR84 (0.40)
SCHEMBL455822 0.80 GPR84 (0.40)
SCHEMBL18007397 0.80 CYP2C9 (0.31)
SCHEMBL17373019 0.74 TERT (0.42) ACLYPPARGPPARALMNA
SCHEMBL1196176 0.72 CPT2 (0.35) CPT2ACLYLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642642-B2 Heterocyclic arylsulphones suitable for treating disorders that respond to modulation of the serotonin 5HT6 receptor ABBOTT LABORATORIES (US) 2014-02-04 US disclosed
US-8497273-B2 Heterocyclic compounds suitable for treating disorders that respond to modulation of the serotonin 5HT6 receptor ABBOTT GMBH & CO. KG (DE) 2013-07-30 US disclosed
US-20100048582-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2010-02-25 US disclosed
US-20090306175-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2009-12-10 US disclosed
US-6025503-A REACTING OPTICALLY ACTIVE(OR RACEMIC) TITANIUM ALKOXIDE COMPLEXES WITH CHIRAL ACTIVATORS(ESPECIALLY DIOLS) YIELDS NEW TITANIUM COMPLEXES WHICH ARE ENANTIO-SELECTIVE IN C-C BOND FORMING REACTIONS TAKASAGO INTERNATIONAL CORPORATION (JP) 2000-02-15 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-20090306175-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR HTR6, HTR1A, HTR5A CPT2 3229/4885ACLY 4489/4885PPARG 1122/4885
US-20100048582-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR HTR6, HTR1A, HTR2C CPT2 2912/4885ACLY 4540/4885PPARG 1642/4885

“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.