SCHEMBL4196434

SCHEMBL4196434

O=S(=O)(Nc1cccc(C2CNC2)c1)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.53
DDB1 Q16531 1/20 0.49
CRBN Q96SW2 1/20 0.49
SLC22A12 Q96S37 1/20 0.48
KIT P10721 1/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
SLC40A1 Q9NP59 1/20 0.47
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL4196269 0.92 BRAF (0.50) BRAFDDB1CRBNSLC22A12KIT
SCHEMBL4190426 0.92 BRAF (0.50) BRAFDDB1CRBNSLC22A12KIT
Hydrochloric Acid SCHEMBL4195464 0.90 BRAF (0.48) BRAFDDB1CRBNSLC22A12KIT
SCHEMBL4200550 0.87 HDAC3 (0.46) BRAFHDAC8HDAC3HDAC4HDAC1
SCHEMBL4198524 0.85 GAA (0.55) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL4204724 0.83 TSHR (0.55) BRAFHDAC8HDAC1PKLRPGR
SCHEMBL4186732 0.82 KMT2A (0.53) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL1546167 0.82 DRD2 (0.51) DDB1CRBNHDAC8HDAC1DRD2
SCHEMBL1546048 0.81 DRD2 (0.50) DDB1CRBNHDAC8HDAC1DRD2
SCHEMBL4206444 0.79 FFAR1 (0.47) BRAFDRD3KCNH2PKLRPGR

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 4 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-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 (1 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 BRAF 1894/4885DDB1 4611/4885CRBN 4243/4885

“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.