SCHEMBL5995181

SCHEMBL5995181

CS(=O)(=O)NCC1CCN(C(=O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.40
PREP P48147 1/20 0.40
FAP Q12884 1/20 0.40
ALDH1A1 P00352 4/20 0.38
PKM P14618 2/20 0.38
TGFBR1 P36897 1/20 0.37
BRD4 O60885 1/20 0.36
XPNPEP1 Q9NQW7 1/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
CYP2C9 P11712 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MGLL Q99685 1/20 0.35
EPHX1 P07099 1/20 0.35
EPHX2 P34913 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ADRA2A P08913 1/20 0.34
NPY5R Q15761 1/20 0.34
SMO Q99835 1/20 0.34
GBA1 P04062 1/20 0.34

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
SCHEMBL21194421 0.90 DPP4 (0.38) DPP4PREPFAPALDH1A1PKM
SCHEMBL25244411 0.83 ENPP1 (0.40) ALDH1A1PKMTGFBR1BRD4KMT2A
SCHEMBL21358504 0.82 DPP4 (0.36) DPP4PREPFAPALDH1A1PKM
SCHEMBL25209933 0.81 ALDH1A1 (0.46) DPP4PREPFAPALDH1A1PKM
SCHEMBL12136875 0.80 ALDH1A1 (0.40) DPP4PREPFAPALDH1A1PKM
SCHEMBL12136880 0.80 ALDH1A1 (0.40) DPP4PREPFAPALDH1A1PKM
SCHEMBL124646 0.79 TGFBR1 (0.55) PKMTGFBR1KDM4E
SCHEMBL27917785 0.78 ALDH1A1 (0.54) ALDH1A1PKMTGFBR1KMT2AMEN1
SCHEMBL8502965 0.78 BRD4 (0.39) PKMBRD4KMT2AMEN1L3MBTL1
SCHEMBL799089 0.78 NSD2 (0.46) DPP4PREPFAPALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1602196-A Ureas of 2-aminobenzothiazoles as adenosine modulators HOFFMANN LA ROCHE (CH) 2005-03-30 CN claimed
US-20040229893-A1 Substituted benzothiazole amide derivatives FLOHR ALEXANDER (CH) 2004-11-18 US claimed
EP-1455792-A1 UREAS OF 2-AMINOBENZOTHIAZOLES AS ADENOSINE MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-15 EP claimed
US-20030149036-A1 Substituted benzothiazole amide derivatives HOFFMAN-LA ROCHE INC. 2003-08-07 US claimed
WO-2003049741-A1 UREAS OF 2-AMINOBENZOTHIAZOLES AS ADENOSINE MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-06-19 WO claimed
US-7019001-B2 Substituted benzothiazole amide derivatives HOFFMAN-LA ROCHE INC. (US) 2006-03-28 US disclosed
CN-1602196-A Ureas of 2-aminobenzothiazoles as adenosine modulators HOFFMANN LA ROCHE (CH) 2005-03-30 CN disclosed
US-20040229893-A1 Substituted benzothiazole amide derivatives FLOHR ALEXANDER (CH) 2004-11-18 US disclosed
EP-1455792-A1 UREAS OF 2-AMINOBENZOTHIAZOLES AS ADENOSINE MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-15 EP disclosed
US-6727247-B2 ADENOSINE RECEPTOR LIGANDS IN A METHOD OF TREATMENT, CONTROL, OR PREVENTION OF CENTRAL NERVOUS SYSTEM DISORDERS HOFFMAN-LA ROCHE INC. 2004-04-27 US disclosed
US-20030149036-A1 Substituted benzothiazole amide derivatives HOFFMAN-LA ROCHE INC. 2003-08-07 US disclosed
WO-2003049741-A1 UREAS OF 2-AMINOBENZOTHIAZOLES AS ADENOSINE MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-06-19 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-20030149036-A1 Substituted benzothiazole amide derivatives ADORA2A, ADORA1, ADORA2B DPP4 1492/4885PREP 3230/4885FAP 1685/4885
US-20040229893-A1 Substituted benzothiazole amide derivatives ADORA2A, ADORA1, ADORA2B DPP4 1492/4885PREP 3230/4885FAP 1685/4885

“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.