SCHEMBL2969586

SCHEMBL2969586

O=C(NCCCNc1nsc2ccc(S(=O)(=O)Nc3ccccc3)cc12)c1ccc(Br)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ESR1 P03372 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ACKR3 P25106 1/20 0.42
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PDPK1 O15530 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
GHSR Q92847 1/20 0.35
PKM P14618 1/20 0.35
PLG P00747 1/20 0.35

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
SCHEMBL2966717 0.90 KMT2A (0.37) SMN1; SMN2KMT2AMEN1HPGDGHSR
SCHEMBL2962633 0.83 KMT2A (0.46) NPSR1RXFP1SMN1; SMN2KMT2AMEN1
SCHEMBL2966703 0.81 GAA (0.56) GAANPSR1RXFP1KDM4EESR1
SCHEMBL2966718 0.79 PLAU (0.45) GAASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL2968437 0.70 ACKR3 (0.56) KDM4EACKR3ALDH1A1HPGDNPC1
SCHEMBL2978276 0.70 ACKR3 (0.45) ESR1ACKR3
SCHEMBL2978184 0.70 TP53 (0.40) GAANPSR1RXFP1KDM4ESMN1; SMN2
SCHEMBL2976791 0.69 LMNA (0.51) KDM4EACKR3KMT2AMEN1ALDH1A1
SCHEMBL2967240 0.69 EPAS1 (0.43) KDM4EKMT2AMEN1ALDH1A1PDPK1
SCHEMBL2977448 0.69 L3MBTL1 (0.46) SMN1; SMN2KMT2AMEN1ALDH1A1L3MBTL1

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
EP-1853573-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION Rigel Pharmaceuticals, Inc. (US) 2007-11-14 EP claimed
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2006-10-12 US claimed
WO-2006091858-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION RIGEL PHARMACEUTICALS, INC. (US) 2006-08-31 WO claimed
US-7776847-B2 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
US-7776847-B2 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
US-7776847-B2 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
EP-1853573-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION Rigel Pharmaceuticals, Inc. (US) 2007-11-14 EP disclosed
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2006-10-12 US disclosed
WO-2006091858-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION RIGEL PHARMACEUTICALS, INC. (US) 2006-08-31 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-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection HAVCR2, ZC3HAV1, MAVS GAA 405/4885NPSR1 4291/4885RXFP1 4640/4885

“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.