SCHEMBL4198524

SCHEMBL4198524

COc1cccc(S(=O)(=O)Nc2cccc(C3CNC3)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
ALDH1A1 P00352 5/20 0.54
LMNA P02545 4/20 0.54
PGR P06401 2/20 0.54
CYP19A1 P11511 1/20 0.51
BRD4 O60885 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
PKM P14618 2/20 0.50
KEAP1 Q14145 2/20 0.50
NFE2L2 Q16236 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50

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
SCHEMBL4200550 0.85 HDAC3 (0.46) GAAALDH1A1LMNAPGRBRD4
SCHEMBL4196434 0.85 BRAF (0.53) PGRHDAC3HDAC4HDAC1HDAC7
SCHEMBL4204669 0.84 LMNA (0.54) GAAALDH1A1LMNASMN1; SMN2PKM
SCHEMBL4199479 0.83 SMN1; SMN2 (0.63) GAAALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL4186732 0.83 KMT2A (0.53) ALDH1A1LMNAPGRPKMHDAC3
SCHEMBL4204846 0.81 PGR (0.59) ALDH1A1LMNAPGRCYP19A1BRD4
SCHEMBL4204724 0.79 TSHR (0.55) GAAALDH1A1LMNAPGRPKM
SCHEMBL4193797 0.79 PGR (0.51) PGRBRD4
SCHEMBL3758000 0.78 PGR (0.83) GAAALDH1A1LMNAPGRCYP19A1
SCHEMBL4193915 0.78 CYP19A1 (0.49) LMNAPGRCYP19A1SMN1; SMN2PKM

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 GAA 2613/4885ALDH1A1 527/4885LMNA 4039/4885

“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.