SCHEMBL19989643

SCHEMBL19989643

COC(=O)C(C)(CCN1CC=C(c2ccc(C#CCN3CCOCC3)cc2)CC1)S(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
MMP2 P08253 4/20 0.39
MMP13 P45452 4/20 0.39
MMP3 P08254 3/20 0.39
DRD2 P14416 3/20 0.37
DRD4 P21917 3/20 0.37
DRD3 P35462 3/20 0.37
MMP1 P03956 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
MAPK14 Q16539 1/20 0.36

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
SCHEMBL19998283 0.90 DRD2 (0.39) KDM4EGAADRD2DRD4DRD3
SCHEMBL19989704 0.90
SCHEMBL19989692 0.88 DRD3 (0.40) KDM4EDRD2DRD4DRD3PPARG
SCHEMBL19989613 0.87 DRD2 (0.40) KDM4EDRD2DRD4DRD3PPARG
SCHEMBL19989622 0.85 DRD3 (0.42) KDM4EDRD2DRD4DRD3PPARG
SCHEMBL19989683 0.84 KDM4E (0.41) KDM4EGAAPPARGPPARA
SCHEMBL19989590 0.84 DRD2 (0.41) KDM4EDRD2DRD4DRD3PPARG
SCHEMBL19989583 0.83 MAPK1 (0.40) KDM4EDRD2DRD4DRD3PPARG
SCHEMBL19989659 0.83 DRD2 (0.40) DRD2DRD4DRD3PPARGPPARA
SCHEMBL19989621 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3519387-B1 TETRAHYDROPYRIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS DONG A ST CO LTD (KR) 2021-08-11 EP disclosed
EP-3519387-A1 TETRAHYDROPYRIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS Dong-A ST Co., Ltd. (KR) 2019-08-07 EP disclosed
US-10160724-B2 Tetrahydropyridine derivatives and their use as antibacterial agents DONG-A ST CO., LTD. (KR) 2018-12-25 US disclosed
WO-2018062924-A1 TETRAHYDROPYRIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS DONG-A ST CO., LTD. (KR) 2018-04-05 WO disclosed
US-20180086709-A1 TETRAHYDROPYRIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS DONG-A ST CO., LTD. (KR) 2018-03-29 US disclosed
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 (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-20180086709-A1 TETRAHYDROPYRIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS GALE, UGDH, PGLS KDM4E 972/4885GAA 224/4885MMP2 314/4885
US-10160724-B2 Tetrahydropyridine derivatives and their use as antibacterial agents GALE, UGDH, PGLS KDM4E 972/4885GAA 224/4885MMP2 314/4885

“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.