SCHEMBL20001474

SCHEMBL20001474

COC(=O)C(C)(CCN1CC=C(c2ccc(C#CCCCO)c(F)c2)CC1)S(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
SIGMAR1 Q99720 6/20 0.35
CACNA1G O43497 1/20 0.35
KCNH2 Q12809 1/20 0.35
KDM4E B2RXH2 1/20 0.34
DRD3 P35462 1/20 0.34
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33

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
SCHEMBL19989672 0.95 MMP2 (0.35) MMP2MMP3SIGMAR1CACNA1GKCNH2
SCHEMBL23735021 0.92 SIGMAR1 (0.35) MMP2MMP3SIGMAR1CACNA1GKCNH2
SCHEMBL20001502 0.91 MMP2 (0.40) MMP2MMP3
SCHEMBL19989641 0.88 SIGMAR1 (0.36) MMP2MMP3SIGMAR1CACNA1GKCNH2
SCHEMBL19989622 0.88 DRD3 (0.42) CACNA1GKCNH2KDM4EDRD3HTR1A
SCHEMBL19989574 0.87 MMP2 (0.37) MMP2MMP3SIGMAR1KDM4EDRD2
SCHEMBL20001507 0.86 MMP2 (0.41) MMP2MMP3
SCHEMBL19989579 0.86 MMP2 (0.38) MMP2MMP3
SCHEMBL19989590 0.86 DRD2 (0.41) CACNA1GKCNH2KDM4EDRD3DRD2
SCHEMBL20025547 0.84 DRD2 (0.38) SIGMAR1DRD3DRD2

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 MMP2 314/4885MMP3 358/4885SIGMAR1 1438/4885

“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.