SCHEMBL17544173

SCHEMBL17544173

COc1ccc(CN2C(=O)CCc3c(OCC4(C(=O)O)CCN(c5cc(Cl)c(Cl)cc5Cl)CC4)ccc(F)c32)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 3/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.34
▸ PTGER2 P43116 2/20 0.34
▸ PTGER4 P35408 1/20 0.34
▸ PTGDR Q13258 1/20 0.34
▸ CXCR3 P49682 1/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ CACNA1G O43497 1/20 0.33
▸ HTT P42858 2/20 0.33
▸ NQO2 P16083 1/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ LTB4R Q15722 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ GRM2 Q14416 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 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
SCHEMBL17542704 0.96 PTGDR2 (0.34) PTGDR2FFAR4PTGER2PTGER4PTGDR
SCHEMBL17543759 0.96 PTGDR2 (0.34) PTGDR2FFAR4PTGER2PTGER4PTGDR
SCHEMBL17543335 0.94 PTGDR2 (0.39) PTGDR2FFAR4PTGER2PTGER4PTGDR
SCHEMBL17543066 0.93 PTGDR2 (0.37) PTGDR2FFAR4PTGER2PTGER4PTGDR
SCHEMBL17542910 0.92 PTGDR2 (0.34) PTGDR2FFAR4PTGER2PTGER4PTGDR
SCHEMBL17543014 0.91 KMT2A (0.39) HTTMEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL17543175 0.91 KCNH2 (0.39) PTGDR2FFAR4KCNH2CACNA1GSMN1; SMN2
SCHEMBL17543674 0.91 PTGDR2 (0.39) PTGDR2FFAR4PTGER2PTGER4PTGDR
SCHEMBL17542975 0.91 PTGDR2 (0.34) PTGDR2FFAR4PTGER2PTGER4PTGDR
SCHEMBL17542917 0.90 CHRM4 (0.38) PTGDR2PTGER2CXCR3KCNH2CACNA1G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106795117-B Heterobicyclic compounds and their use for the treatment of tuberculosis 大塚制药株式会社 2020-06-26 — — CN disclosed
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-11-05 — — US disclosed
EP-3186240-B1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2019-06-12 — — EP disclosed
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-11-01 — — US disclosed
US-10053446-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-08-21 — — US disclosed
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-09-07 — — US disclosed
EP-3186240-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS Otsuka Pharmaceutical Co., Ltd. (JP) 2017-07-05 — — EP disclosed
WO-2016031255-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-03-03 — — WO 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 (4 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-10053446-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD PTGDR2 3993/4885FFAR4 4026/4885PTGER2 4347/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD PTGDR2 3993/4885FFAR4 4026/4885PTGER2 4347/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD PTGDR2 3993/4885FFAR4 4026/4885PTGER2 4347/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD PTGDR2 3993/4885FFAR4 4026/4885PTGER2 4347/4885

“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.

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