SCHEMBL2098355

SCHEMBL2098355

CC(C)(C)OC(=O)N1CCN(c2ccc(-c3nc4ccc(NS(C)(=O)=O)cc4s3)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
TBK1 Q9UHD2 1/20 0.46
GPR119 Q8TDV5 3/20 0.46
WNT3A P56704 1/20 0.46
PGK1 P00558 1/20 0.45
RET P07949 6/20 0.44
PIK3CA P42336 2/20 0.44
MAP4K4 O95819 1/20 0.43
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
APP P05067 1/20 0.42
TP53 P04637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL2055259 0.85 MAP4K4 (0.52) TBK1WNT3APGK1RETPIK3CA
SCHEMBL2055258 0.84 APP (0.50) TBK1GPR119WNT3APGK1RET
SCHEMBL2055260 0.82 MAPT (0.50) TBK1GPR119PGK1RETPIK3CA
SCHEMBL2055201 0.82 NTRK1 (0.51) APPTP53KDM4ENPC1RAB9A
SCHEMBL28956351 0.81 DDB1 (0.62) DDB1CRBNGPR119WNT3ARET
SCHEMBL30261848 0.81 DDB1 (0.62) DDB1CRBNGPR119WNT3ARET
SCHEMBL2055256 0.80 TBK1 (0.48) TBK1WNT3APGK1RETPIK3CA
SCHEMBL31166123 0.78 RET (0.52) TBK1GPR119WNT3APGK1RET
SCHEMBL31239349 0.77 PIK3CA (0.43) DDB1CRBNTBK1GPR119PGK1
SCHEMBL31239336 0.77 RET (0.45) DDB1CRBNTBK1GPR119WNT3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957215-B2 Heteroaryl substituted benzothiazoles NAVIDEA BIOPHARMACEUTICALS, INC. (US) 2015-02-17 US disclosed
US-20120207679-A1 Novel Heteroaryl Substituted Benzothiazoles ASTRAZENECA AB (SE) 2012-08-16 US disclosed
US-8163928-B2 Heteroaryl substituted benzothiazoles ASTRAZENECA AB (SE) 2012-04-24 US disclosed
CN-101410393-B Novel heteroaryl substituted benzothiazoles ASTRAZENECA AB 2012-01-25 CN disclosed
CN-101410393-A Novel heteroaryl substituted benzothiazoles ASTRAZENECA AB (SE) 2009-04-15 CN disclosed
US-20090028787-A1 Novel Heteroaryl Substituted Benzothiazoles NAVIDEA BIOPHARMACEUTICALS, INC. 2009-01-29 US disclosed
EP-1981883-A1 NOVEL HETEROARYL SUBSTITUTED BENZOTHIAZOLES AstraZeneca AB (SE) 2008-10-22 EP disclosed
WO-2007086800-A1 NOVEL HETEROARYL SUBSTITUTED BENZOTHIAZOLES ASTRAZENECA AB (SE) 2007-08-02 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 (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-20090028787-A1 Novel Heteroaryl Substituted Benzothiazoles APP, MAPT, PSEN1 DDB1 2085/4885CRBN 1113/4885TBK1 731/4885
US-20120207679-A1 Novel Heteroaryl Substituted Benzothiazoles MAPT, APP, PSEN1 DDB1 2340/4885CRBN 1891/4885TBK1 684/4885

“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.