SCHEMBL4477508

SCHEMBL4477508

O=S(=O)(Nc1ccc2c(c1)C(C1CCNCC1)=CCO2)c1cccc(Br)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.80
MAP4K4 O95819 1/20 0.45
PAK4 O96013 1/20 0.45
PIM1 P11309 1/20 0.45
LTK P29376 1/20 0.45
KDR P35968 1/20 0.45
MAPK14 Q16539 1/20 0.45
LRRK2 Q5S007 1/20 0.45
AURKB Q96GD4 1/20 0.45
ALK Q9UM73 1/20 0.45
HSD17B2 P37059 1/20 0.42
PGR P06401 2/20 0.40
BRD4 O60885 1/20 0.40
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN5 P54829 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.38

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
SCHEMBL4480862 0.89 HTR6 (1.00) HTR6BRD4CCNT1CDK9KMT2A
SCHEMBL6475723 0.89 HTR6 (0.80) HTR6KDRAURKBPGRBRD4
Water SCHEMBL4559433 0.88 HTR6 (0.98) HTR6BRD4CCNT1CDK9KMT2A
Water SCHEMBL4559431 0.88 HTR6 (0.98) HTR6BRD4CCNT1CDK9KMT2A
SCHEMBL6472087 0.86 HTR6 (0.76) HTR6HSD17B2PGRPTPN2PTPN1
SCHEMBL6476010 0.83 HTR6 (0.81) HTR6HSD17B2BRD4CCNT1CDK9
SCHEMBL4482936 0.83 HTR6 (0.81) HTR6CCNT1CDK9KMT2AMAPT
SCHEMBL3324653 0.80 HTR6 (0.72) HTR6PGRBRD4PTPN2PTPN1
SCHEMBL4487505 0.77 HTR6 (0.68) HTR6PTPN2PTPN1PTPN5KMT2A
SCHEMBL4477512 0.71 HSD17B2 (0.42) HTR6MAP4K4PAK4PIM1LTK

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534801-B2 Piperidinylchromen-6-ylsulfonamide compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-05-19 US claimed
US-20050107431-A1 Piperidinylchromen-6-ylsulfonamide compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-05-19 US claimed
WO-2005037830-A1 PIPERIDINYLCHROMEN-6-YLSULFONAMIDE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2005-04-28 WO claimed
US-7534801-B2 Piperidinylchromen-6-ylsulfonamide compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-05-19 US disclosed
US-20050107431-A1 Piperidinylchromen-6-ylsulfonamide compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-05-19 US disclosed
WO-2005037830-A1 PIPERIDINYLCHROMEN-6-YLSULFONAMIDE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2005-04-28 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-20050107431-A1 Piperidinylchromen-6-ylsulfonamide compounds as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, TPH1 HTR6 1/4885MAP4K4 1843/4885PAK4 2047/4885

“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.