SCHEMBL1095968

SCHEMBL1095968

CS(=O)(=O)O[C@H]1CCCN(c2nc3ccc(Br)cc3s2)C1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.58
NPC1 O15118 11/20 0.58
MAPT P10636 6/20 0.58
HTT P42858 2/20 0.58
ALDH1A1 P00352 2/20 0.58
SMN1; SMN2 Q16637 6/20 0.47
STAT3 P40763 1/20 0.43
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 4/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41

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
SCHEMBL1093545 1.00 RAB9A (0.58) RAB9ANPC1MAPTHTTALDH1A1
SCHEMBL1093546 1.00 RAB9A (0.58) RAB9ANPC1MAPTHTTALDH1A1
SCHEMBL1096574 0.94 RAB9A (0.54) RAB9ANPC1MAPTHTTALDH1A1
SCHEMBL1096571 0.94 RAB9A (0.54) RAB9ANPC1MAPTHTTALDH1A1
SCHEMBL1095201 0.89 RAB9A (0.55) RAB9ANPC1MAPTHTTALDH1A1
SCHEMBL10247662 0.80 RAB9A (0.69) RAB9ANPC1MAPTHTTALDH1A1
SCHEMBL1096844 0.80 RAB9A (0.69) RAB9ANPC1MAPTHTTALDH1A1
SCHEMBL1096066 0.80 RAB9A (0.69) RAB9ANPC1MAPTHTTALDH1A1
SCHEMBL1096068 0.80 RAB9A (0.69) RAB9ANPC1MAPTHTTALDH1A1
SCHEMBL3665269 0.78 RAB9A (0.47) RAB9ANPC1MAPTHTTALDH1A1

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-8580968-B2 Benzothiazole and benzooxazole derivatives and methods of use ABBVIE INC. (US) 2013-11-12 US disclosed
US-20120164070-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2012-06-28 US disclosed
US-8153813-B2 Benzothiazole and benzooxazole derivatives and methods of use ABBOTT LABORATORIES (US) 2012-04-10 US disclosed
EP-2237779-A1 BENZOTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND METHODS OF USE Abbott Laboratories (US) 2010-10-13 EP disclosed
WO-2009085945-A1 BENZOTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2009-07-09 WO disclosed
US-20090163464-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2009-06-25 US 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 (2 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-20120164070-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE HRH2, HRH1, HRH4 RAB9A 4401/4885NPC1 2712/4885MAPT 2328/4885
US-20090163464-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE HRH2, HRH1, HRH4 RAB9A 4401/4885NPC1 2712/4885MAPT 2328/4885

“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.