SCHEMBL4186732

SCHEMBL4186732

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.53
POLB P06746 2/20 0.51
PGR P06401 1/20 0.49
MAPT P10636 4/20 0.48
PKM P14618 1/20 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
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
ALDH1A1 P00352 3/20 0.47
ESR1 P03372 1/20 0.47
AURKA O14965 1/20 0.46
KDR P35968 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
SCHEMBL4204669 0.86 LMNA (0.54) KMT2AMAPTPKMHDAC1HDAC8
SCHEMBL4204846 0.86 PGR (0.59) PGRMAPTPKMALDH1A1KDR
SCHEMBL4204724 0.85 TSHR (0.55) KMT2APGRMAPTPKMHDAC1
SCHEMBL4193797 0.83 PGR (0.51) PGRMAPTHSPD1PTPN2PTPN1
SCHEMBL4198524 0.83 GAA (0.55) KMT2APGRPKMHDAC3HDAC4
SCHEMBL4200550 0.82 HDAC3 (0.46) POLBPGRHDAC3HDAC4HDAC1
SCHEMBL4196434 0.82 BRAF (0.53) PGRHDAC3HDAC4HDAC1HDAC7
SCHEMBL4193915 0.82 CYP19A1 (0.49) PGRMAPTPKMLMNA
SCHEMBL4206444 0.81 FFAR1 (0.47) KMT2APGRMAPTPKMALDH1A1
SCHEMBL4195766 0.77 HTR2C (0.53) KMT2APGRMAPTPKMHDAC1

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 KMT2A 1530/4885POLB 4814/4885PGR 492/4885

“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.