SCHEMBL84801

SCHEMBL84801

COCCCN1CCN(S(C)(=O)=O)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HRH2 P25021 1/20 0.47
HRH1 P35367 1/20 0.47
HRH3 Q9Y5N1 4/20 0.45
KDM1A O60341 1/20 0.40
HTR4 Q13639 3/20 0.38
KDM4E B2RXH2 1/20 0.38
PTGS2 P35354 1/20 0.38
TP53 P04637 1/20 0.36
EPHX2 P34913 2/20 0.35
TDP1 Q9NUW8 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
SCHEMBL12137190 0.89 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HRH2HRH1HRH3
SCHEMBL14116872 0.85 CYP3A4 (0.47) ALDH1A1SMN1; SMN2HRH2HRH1KDM4E
SCHEMBL23634802 0.84 HRH2 (0.46) ALDH1A1SMN1; SMN2HRH2HRH1HRH3
SCHEMBL8221324 0.84 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2HRH2HRH1HRH3
SCHEMBL10924619 0.82 ALDH1A1 (0.39) ALDH1A1HRH3KDM4E
SCHEMBL11575418 0.82
SCHEMBL12793973 0.81 HRH2 (0.47) ALDH1A1SMN1; SMN2HRH2HRH1HRH3
SCHEMBL1100792 0.79 KDM1A (0.43) ALDH1A1SMN1; SMN2HRH2HRH1HRH3
SCHEMBL14670865 0.79 PTGS2 (0.54) HRH2HRH1HRH3KDM1AKDM4E
SCHEMBL15295188 0.78 HRH2 (0.44) ALDH1A1SMN1; SMN2HRH2HRH1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170348320-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE AMBIT BIOSCIENCES CORP (US) 2017-12-07 US disclosed
US-20170348320-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE AMBIT BIOSCIENCES CORP (US) 2017-12-07 US disclosed
US-20150126505-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE AMBIT BIOSCIENCES CORP (US) 2015-05-07 US disclosed
US-8921546-B2 Imidazolothiazole compounds for the treatment of disease AMBIT BIOSCIENCES CORPORATION (US) 2014-12-30 US disclosed
US-20140243525-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE AMBIT BIOSCIENCES CORPORATION (US) 2014-08-28 US disclosed
EP-2203457-B1 DISPIRO 1,2,4-TRIOXOLANE ANTIMALARIALS MEDICINES FOR MALARIA VENTURE MMV (CH) 2014-03-05 EP disclosed
US-8557810-B2 Imidazolothiazole compounds for the treatment of disease AMBIT BIOSCIENCES CORPORATION (US) 2013-10-15 US disclosed
US-8129374-B2 Method of using imidazolothiazole compounds for the treatment of disease AMBIT BIOSCIENCE CORPORATION (US) 2012-03-06 US disclosed
US-8067620-B2 Cis-adamantane-2-spiro-3'-8'-[4'-[2'-(4'-morpholinyl)ethoxy]phenyl]-1',2',4'-trioxaspiro[4.5]decane mesylate (OZ439); nonneurotoxic; pharmacokinetics; stability; oral absorption; bioavailability; anticarcinogenic agents; single-dose cure;antiprotozoan agents; parasiticides; schistosomiasis; MEDICINES FOR MALARIA VENTURE MMV (CH) 2011-11-29 US disclosed
US-8067620-B2 Cis-adamantane-2-spiro-3'-8'-[4'-[2'-(4'-morpholinyl)ethoxy]phenyl]-1',2',4'-trioxaspiro[4.5]decane mesylate (OZ439); nonneurotoxic; pharmacokinetics; stability; oral absorption; bioavailability; anticarcinogenic agents; single-dose cure;antiprotozoan agents; parasiticides; schistosomiasis; MEDICINES FOR MALARIA VENTURE MMV (CH) 2011-11-29 US disclosed
US-20100298313-A1 METHOD OF USING IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE AMBIT BIOSCIENCES CORPORATION 2010-11-25 US disclosed
US-7820657-B2 receptor kinase inhibitors such as 3-(2-{4-[3-(5-tert-Butyl-isoxazol-3-yl)-ureido]-phenyl}-benzo[d]imidazo[2,1-b]thiazol-7-yl)-N-(2-morpholin-4-yl-ethyl)-propionamide; flk inhibitors AMBIT BIOSCIENCES CORPORATION (US) 2010-10-26 US disclosed
WO-2009058859-A2 DISPIRO 1,2,4-TRIOXOLANE ANTIMALARIALS MEDICINES FOR MALARIA VENTURE MMV (CH) 2009-05-07 WO disclosed
US-20080125411-A1 DISPIRO 1,2,4-TRIOXOLANE ANTIMALARIALS MEDICINES FOR MALARIA VENTURE MMV (CH) 2008-05-29 US disclosed
US-20080125411-A1 DISPIRO 1,2,4-TRIOXOLANE ANTIMALARIALS MEDICINES FOR MALARIA VENTURE MMV (CH) 2008-05-29 US disclosed
US-20070232604-A1 receptor kinase inhibitors such as 3-(2-{4-[3-(5-tert-Butyl-isoxazol-3-yl)-ureido]-phenyl}-benzo[d]imidazo[2,1-b]thiazol-7-yl)-N-(2-morpholin-4-yl-ethyl)-propionamide; flk inhibitors AMBIT BIOSCIENCES CORPORATION 2007-10-04 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 (6 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-20150126505-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE GRK2, GRK4, GRK3 ALDH1A1 3704/4885SMN1; SMN2 1354/4885HRH2 406/4885
US-20140243525-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE GRK2, GRK4, GRK3 ALDH1A1 3704/4885SMN1; SMN2 1354/4885HRH2 406/4885
US-20080125411-A1 DISPIRO 1,2,4-TRIOXOLANE ANTIMALARIALS DHODH, THPO, SQLE ALDH1A1 319/4885SMN1; SMN2 2799/4885HRH2 3772/4885
US-20100298313-A1 METHOD OF USING IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE GRK2, GRK4, GRK5 ALDH1A1 3615/4885SMN1; SMN2 1288/4885HRH2 366/4885
US-20170348320-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE GRK2, GRK4, GRK3 ALDH1A1 3704/4885SMN1; SMN2 1354/4885HRH2 406/4885
US-20070232604-A1 receptor kinase inhibitors such as 3-(2-{4-[3-(5-tert-Butyl-isoxazol-3-yl)-ureido]-phenyl}-benzo[d]imidazo[2,1-b]thiazol-7-yl)-N-(2-morpholin-4-yl-ethyl)-propionamide; flk inhibitors GRK2, GRK3, BLK ALDH1A1 3405/4885SMN1; SMN2 3321/4885HRH2 1353/4885

“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.