SCHEMBL19989700

SCHEMBL19989700

COC(=O)C(C)(CCN1CC=C(c2ccc(C#CC3CN(C)C3)cc2)CC1)S(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.37
PPARA Q07869 4/20 0.37
KDM4E B2RXH2 1/20 0.35
DRD3 P35462 2/20 0.35
CACNA1G O43497 1/20 0.34
KCNH2 Q12809 1/20 0.34
SIGMAR1 Q99720 3/20 0.34
DRD2 P14416 2/20 0.34
DRD4 P21917 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR1A P08908 1/20 0.34
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 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
SCHEMBL19989684 0.93 PPARG (0.36) PPARGPPARAKDM4EDRD3CACNA1G
SCHEMBL19989667 0.93 PPARG (0.36) PPARGPPARAKDM4EDRD3CACNA1G
SCHEMBL19998285 0.91 PPARG (0.37) PPARGPPARAKDM4EDRD3CACNA1G
Hydrochloric Acid SCHEMBL19989627 0.91 PPARG (0.37) PPARGPPARAKDM4EDRD3CACNA1G
SCHEMBL19989711 0.90 ALDH2 (0.42) PPARGPPARADRD3CACNA1GKCNH2
SCHEMBL19989644 0.90
Hydrochloric Acid SCHEMBL29756650 0.89
SCHEMBL19989692 0.86 DRD3 (0.40) PPARGPPARAKDM4EDRD3CACNA1G
SCHEMBL19989613 0.85 DRD2 (0.40) PPARGPPARAKDM4EDRD3CACNA1G
SCHEMBL19989583 0.84 MAPK1 (0.40) 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 7 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
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.