SCHEMBL3608538

SCHEMBL3608538

[c]1ccc(-c2ncco2)s1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.42
HPGDS O60760 1/20 0.36
SCD O00767 1/20 0.33
HDAC4 P56524 1/20 0.33
BRD4 O60885 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
SCHEMBL2936248 0.69 HPGDS (0.36) LTA4HHPGDS
SCHEMBL100765 0.68 HPGDS (0.46) LTA4HHPGDSHDAC4BRD4
SCHEMBL9065298 0.68 HPGDS (0.42) LTA4HHPGDSBRD4
SCHEMBL3596326 0.67 CYP2A6 (0.35) HDAC4
SCHEMBL19475648 0.67 HPGDS (0.37) LTA4HHPGDS
SCHEMBL4897 0.67 ALDH1A1 (0.49) LTA4HHPGDS
SCHEMBL533033 0.65 LTA4H (0.50) LTA4HHPGDSHDAC4BRD4
SCHEMBL5030066 0.65 LTA4H (0.39) LTA4HHPGDSSCDHDAC4BRD4
SCHEMBL27735339 0.65 CYP2E1 (0.42) LTA4HHPGDSSCDHDAC4BRD4
SCHEMBL722557 0.65 LTA4H (0.64) LTA4HHPGDSHDAC4BRD4

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-2890691-A1 BENZIMIDAZOLE DERIVATIVES AS ITK INHIBITORS Principia Biopharma Inc. (US) 2015-07-08 EP claimed
WO-2014036016-A1 BENZIMIDAZOLE DERIVATIVES AS ITK INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2014-03-06 WO claimed
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-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-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

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 LTA4H 613/4885HPGDS 760/4885SCD 2962/4885
US-20100048582-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR HTR6, HTR1A, HTR2C LTA4H 479/4885HPGDS 902/4885SCD 2991/4885

“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.