SCHEMBL5380340

SCHEMBL5380340

CN(C)C(=O)n1cnc(S(=O)(=O)C2CCOc3ccccc32)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.41
PIK3CA P42336 4/20 0.38
BDKRB1 P46663 1/20 0.34
NTRK1 P04629 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRB2 P47870 1/20 0.32
USP1 O94782 2/20 0.32
CCR6 P51684 1/20 0.32
P2RX4 Q99571 1/20 0.32
SSTR4 P31391 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
AKT1 P31749 1/20 0.31
MTOR P42345 1/20 0.31

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
SCHEMBL5380528 0.76 USP1 (0.34) BDKRB1NTRK1GABRA1GABRA3GABRB2
SCHEMBL5384535 0.71 DPP4 (0.50) DPP4MEN1KMT2A
SCHEMBL5382766 0.68 DPP4 (0.44) DPP4MEN1KMT2A
SCHEMBL5381823 0.67 DPP4 (0.83) DPP4KMT2A
SCHEMBL5381829 0.67 DPP4 (0.83) DPP4KMT2A
SCHEMBL5380486 0.66 DPP4 (0.42) DPP4
Water SCHEMBL27546318 0.66 PIK3CA (0.40) DPP4PIK3CACCR6SSTR4
SCHEMBL5376966 0.66 DAGLA (0.43) DPP4MEN1KMT2A
SCHEMBL5371714 0.66 DPP4 (0.39) DPP4MEN1KMT2A
SCHEMBL22118297 0.64 PIK3CA (0.41) PIK3CASSTR4AKT1MTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7238720-B2 Pharmaceutical use of N-carbamoylazole derivatives EISAI R & D MANAGEMENT CO. LTD. (JP) 2007-07-03 US disclosed
US-7238720-B2 Pharmaceutical use of N-carbamoylazole derivatives EISAI R & D MANAGEMENT CO. LTD. (JP) 2007-07-03 US disclosed
EP-1258480-B1 Pharmaceutical use of N-Carbamoylazole derivatives EISAI CO LTD (JP) 2004-11-10 EP disclosed
EP-1258480-B1 Pharmaceutical use of N-Carbamoylazole derivatives EISAI CO LTD (JP) 2004-11-10 EP disclosed
US-20040186153-A1 Pharmaceutical use of N-carbamoylazole derivatives EISAI R & D MANAGEMENT CO. LTD. (JP) 2004-09-23 US disclosed
US-20030060494-A1 Pharmaceutical use of N-carbamoylazole derivatives EISAI CO., LTD. (JP) 2003-03-27 US disclosed
EP-1258480-A1 Pharmaceutical use of N-Carbamoylazole derivatives Eisai Co., Ltd. (JP) 2002-11-20 EP 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-20040186153-A1 Pharmaceutical use of N-carbamoylazole derivatives DPP4, DPP3, DPP7 DPP4 1/4885PIK3CA 1045/4885BDKRB1 2762/4885
US-20030060494-A1 Pharmaceutical use of N-carbamoylazole derivatives DPP4, DPP3, DPP7 DPP4 1/4885PIK3CA 1045/4885BDKRB1 2762/4885

“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.