SCHEMBL3607502

SCHEMBL3607502

O=C(O)C=C(CCl)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
KDM4E B2RXH2 2/20 0.56
ATM Q13315 1/20 0.33
ABAT P80404 1/20 0.31
GABRR1 P24046 2/20 0.31
GABRR2 P28476 2/20 0.31
BLM P54132 2/20 0.31
GABRR3 A8MPY1 1/20 0.31
LMNA P02545 1/20 0.31
APEX1 P27695 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL10571342 1.00 TSHR (0.56) TSHRKDM4EATMABATGABRR1
SCHEMBL3607498 1.00 TSHR (0.56) TSHRKDM4EATMABATGABRR1
SCHEMBL28942452 0.79 TSHR (0.83) TSHRKDM4EATMABATGABRR1
SCHEMBL28734197 0.79 KDM4E (0.52) TSHRKDM4EATM
SCHEMBL28488698 0.77 TSHR (0.62) TSHRKDM4EATMABATGABRR1
SCHEMBL16732238 0.75 KDM4E (0.48) TSHRKDM4E
SCHEMBL16732241 0.75 KDM4E (0.48) TSHRKDM4E
SCHEMBL13233298 0.74
SCHEMBL8734111 0.74
SCHEMBL7101539 0.74

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 12 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
EP-2074110-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR Abbott GmbH & Co. KG (DE) 2009-07-01 EP disclosed
EP-2029528-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR Abbott GmbH & Co. KG (DE) 2009-03-04 EP disclosed
WO-2007118900-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2007-10-25 WO disclosed
WO-2007118899-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2007-10-25 WO disclosed
US-4847285-A 1-substituted phenyl-3-substituted methyl-pyrrolidine-2,5-diones and plant fungicide compositions containing same THE DOW CHEMICAL COMPANY (US) 1989-07-11 US disclosed
US-4386192-A BY SPECIFIC RATIOS OF TOLUENE AND CYCLOHEXANE POLYMERIZATION SOLVENTS CIBA-GEIGY CORPORATION (US) 1983-05-31 US disclosed
US-4256867-A OF HYDANTOIN, USED AS THICKENERS, SOLUBILIZERS, STABILIZERS, COMPLEXING AGENTS CIBA-GEIGY CORPORATION (US) 1981-03-17 US disclosed
US-4206309-A HYDANTOINALKYL VINYL ETHER CIBA-GEIGY CORPORATION (US) 1980-06-03 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 TSHR 107/4885KDM4E 3032/4885ATM 3540/4885
US-20100048582-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR HTR6, HTR1A, HTR2C TSHR 120/4885KDM4E 3143/4885ATM 3464/4885

“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.