SCHEMBL3567110

SCHEMBL3567110

O=S(=O)(c1ccccc1)n1c(-c2ccccc2)cc2cc(Br)ccc21

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
ACLY P53396 18/20 0.56
ALDH1A1 P00352 1/20 0.46
MAPT P10636 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
SCHEMBL28411702 0.91 ACLY (0.60) CA12CA2CA9ACLY
SCHEMBL3558164 0.83 CA12 (0.78) CA12CA2CA9ACLYALDH1A1
SCHEMBL3555924 0.83 ACLY (0.66) CA12CA2CA9ACLY
SCHEMBL3560088 0.83 ACLY (0.63) CA12CA2CA9ACLYALDH1A1
SCHEMBL3558271 0.83 ACLY (0.67) CA12CA2CA9ACLYALDH1A1
SCHEMBL1457773 0.83 ACLY (0.45) CA12CA2CA9ACLY
SCHEMBL1459925 0.83 ACLY (0.58) CA12CA2CA9ACLY
SCHEMBL1459652 0.83 ACLY (0.51) CA12CA2CA9ACLY
SCHEMBL1460145 0.83 ACLY (0.44) CA12CA2CA9ACLY
SCHEMBL3563978 0.82 BRD4 (0.49) CA12CA2CA9ACLYALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680120-B2 Indole derivative or pharmaceutically acceptable salt thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-03-25 US disclosed
EP-1567492-B1 N-ARYLSULFONYL-3-AMINOALKOXYINDOLES SUVEN LIFE SCIENCES LTD (IN) 2013-05-22 EP disclosed
EP-2460791-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-06-06 EP disclosed
US-20120129890-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-24 US disclosed
US-7718690-B2 N-arylsulfonyl-3-aminoalkoxyindoles RAMAKRISHNA VENKATA SATYA NIROGI 2010-05-18 US disclosed
US-20090131507-A1 N-arylsulfonyl-3-aminoalkoxyindoles SUVEN LIFE SCIENCES LIMITED (IN) 2009-05-21 US disclosed
US-7507835-B2 N-arylsulfonyl-3-aminoalkoxyindoles SUVEN LIFE SCIENCES LTD. (IN) 2009-03-24 US disclosed
US-20060173193-A1 N-arylsulfonyl-3-aminoalkoxyindoles SUVEN LIFE SCIENCES LIMITED (IN) 2006-08-03 US disclosed
CN-1720227-A N-arylsulfonyl-3-aminoalkoxyindoles SUVEN LIFE SCIENCES LTD (IN) 2006-01-11 CN 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 (3 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-20090131507-A1 N-arylsulfonyl-3-aminoalkoxyindoles HTR3C, HTR3A, AANAT CA12 4416/4885CA2 3663/4885CA9 4205/4885
US-20120129890-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, ARRB1 CA12 2525/4885CA2 615/4885CA9 2025/4885
US-20060173193-A1 N-arylsulfonyl-3-aminoalkoxyindoles HTR3C, HTR3A, AANAT CA12 4416/4885CA2 3663/4885CA9 4205/4885

“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.