SCHEMBL20001575

SCHEMBL20001575

CN(C)CC#Cc1ccc(C2=CCN(COC(=O)C(C)(CCBr)S(C)(=O)=O)CC2)cc1F

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.32
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
GPR119 Q8TDV5 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL19989641 0.86 SIGMAR1 (0.36) SIGMAR1MMP2MMP3KDM4E
SCHEMBL29756641 0.83 SIGMAR1 (0.37) SIGMAR1MMP2MMP3KDM4E
SCHEMBL19989702 0.83 SIGMAR1 (0.37) SIGMAR1MMP2MMP3KDM4E
SCHEMBL20025454 0.83 SIGMAR1 (0.37) SIGMAR1MMP2MMP3KDM4E
SCHEMBL29756593 0.81
SCHEMBL19989677 0.81
SCHEMBL28810877 0.81 MMP2 (0.33) MMP2MMP3GPR119
SCHEMBL23735021 0.79 SIGMAR1 (0.35) SIGMAR1MMP2MMP3KDM4E
SCHEMBL29756594 0.77
SCHEMBL19989649 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180086709-A1 TETRAHYDROPYRIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS DONG-A ST CO., LTD. (KR) 2018-03-29 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 (1 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-20180086709-A1 TETRAHYDROPYRIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS GALE, UGDH, PGLS SIGMAR1 1438/4885MMP2 314/4885MMP3 358/4885

“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.