SCHEMBL19989646

SCHEMBL19989646

COC(=O)C(C)(CCN1CC=C(c2ccc(I)cc2)CC1)S(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
KDM4E B2RXH2 2/20 0.41
DRD3 P35462 1/20 0.40
SIGMAR1 Q99720 8/20 0.39
CACNA1G O43497 1/20 0.39
KCNH2 Q12809 1/20 0.39
HTR1A P08908 3/20 0.38
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL19989668 0.88 PPARG (0.45) PPARGPPARAKDM4ESIGMAR1MAPT
SCHEMBL19989698 0.88 SIGMAR1 (0.45) PPARGPPARAKDM4EDRD3SIGMAR1
SCHEMBL19989638 0.87 PPARG (0.39) PPARGPPARAKDM4EDRD3SIGMAR1
SCHEMBL23734923 0.86 PPARG (0.41) PPARGPPARAKDM4ESIGMAR1
SCHEMBL19989692 0.84 DRD3 (0.40) PPARGPPARAKDM4EDRD3SIGMAR1
SCHEMBL19989613 0.84 DRD2 (0.40) PPARGPPARAKDM4EDRD3SIGMAR1
SCHEMBL19989583 0.83 MAPK1 (0.40) PPARGPPARAKDM4EDRD3SIGMAR1
SCHEMBL19989683 0.83 KDM4E (0.41) PPARGPPARAKDM4EMAPT
SCHEMBL19989700 0.81 PPARG (0.37) PPARGPPARAKDM4EDRD3SIGMAR1
SCHEMBL19989622 0.81 DRD3 (0.42) PPARGPPARAKDM4EDRD3CACNA1G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110088087-B Tetrahydropyridine derivatives and their use as antibacterial agents 东亚ST株式会社 2022-08-09 CN disclosed
EP-3519387-B1 TETRAHYDROPYRIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS DONG A ST CO LTD (KR) 2021-08-11 EP disclosed
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
CN-110088087-A TETRAHYDROPYRIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS 东亚ST株式会社 2019-08-02 CN 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
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
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 PPARG 2632/4885PPARA 2923/4885KDM4E 972/4885
US-10160724-B2 Tetrahydropyridine derivatives and their use as antibacterial agents GALE, UGDH, PGLS PPARG 2632/4885PPARA 2923/4885KDM4E 972/4885

“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.