SCHEMBL19989668

SCHEMBL19989668

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

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.45
PPARA Q07869 3/20 0.45
SIGMAR1 Q99720 10/20 0.43
KDM4E B2RXH2 2/20 0.43
KCNA3 P22001 1/20 0.41
MAPT P10636 1/20 0.39
MMP2 P08253 2/20 0.39
MMP3 P08254 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL19989646 0.88 PPARG (0.41) PPARGPPARASIGMAR1KDM4EMAPT
SCHEMBL19989624 0.87 SIGMAR1 (0.46) PPARGPPARASIGMAR1KDM4EKCNA3
SCHEMBL28811014 0.86 PPARG (0.43) PPARGPPARASIGMAR1KDM4EKCNA3
SCHEMBL28810919 0.83 DRD2 (0.44) PPARGPPARASIGMAR1KDM4EKCNA3
SCHEMBL23734923 0.83 PPARG (0.41) PPARGPPARASIGMAR1KDM4E
SCHEMBL19989562 0.82 MAPK1 (0.42) PPARGPPARASIGMAR1KDM4EKCNA3
SCHEMBL28810925 0.81 PPARG (0.43) PPARGPPARASIGMAR1KDM4EKCNA3
SCHEMBL28811903 0.80 DRD2 (0.46) PPARGPPARAKCNA3
Hydrochloric Acid SCHEMBL28810954 0.80 PPARG (0.40) PPARGPPARASIGMAR1KDM4EKCNA3
SCHEMBL28811383 0.80 DRD2 (0.46) PPARGPPARAKCNA3

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 9 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-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

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 2923/4885SIGMAR1 1438/4885
US-10160724-B2 Tetrahydropyridine derivatives and their use as antibacterial agents GALE, UGDH, PGLS PPARG 2632/4885PPARA 2923/4885SIGMAR1 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.