SCHEMBL19994035

SCHEMBL19994035

CC(C)(C)[Si](C)(C)Oc1cccc(CN=C=S)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MIF P14174 8/20 0.48
TRPA1 O75762 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
CA12 O43570 4/20 0.39
CA1 P00915 4/20 0.39
CA9 Q16790 4/20 0.39
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
IDO1 P14902 2/20 0.33
AGXT P21549 2/20 0.33
TAAR1 Q96RJ0 2/20 0.32

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
SCHEMBL30207605 1.00 MIF (0.48) MIFTRPA1ALDH1A1CYP3A4HPGD
3-Methoxybenxyl Isothiocyanate SCHEMBL1551644 0.77 MIF (0.64) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL14382682 0.77 CA12 (0.42) ALDH1A1CA12CA1CA9HSP90AA1
SCHEMBL29975825 0.77 CA12 (0.42) TRPA1ALDH1A1CA12CA1CA9
SCHEMBL378877 0.77 CA12 (0.42) TRPA1ALDH1A1CA12CA1CA9
SCHEMBL4327915 0.76 CA12 (0.44) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL558917 0.76 CA12 (0.41) ALDH1A1CA12CA1CA9HSP90AA1
SCHEMBL3866939 0.76 MAOB (0.43) CA12CA1CA9IDO1AGXT
SCHEMBL559965 0.76 KDR (0.41) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL29851528 0.76 KDR (0.41) CA12CA1CA9HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834417-B2 Compositions for the treatment of hypertension and/or fibrosis VECTUS BIOSYSTEMS LIMITED (AU) 2023-12-05 US disclosed
CN-110234631-B Composition for treating hypertension and/or fibrosis 维克特斯生物系统有限公司 2023-02-28 CN disclosed
US-20210284612-A1 Compositions for the Treatment of Hypertension and/or Fibrosis VECTUS BIOSYSTEMS LIMITED (AU) 2021-09-16 US disclosed
EP-3515895-B1 IMIDAZOLE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION AND/OR FIBROSIS VECTUS BIOSYSTEMS LTD (AU) 2021-08-11 EP disclosed
EP-3515895-B1 IMIDAZOLE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION AND/OR FIBROSIS VECTUS BIOSYSTEMS LTD (AU) 2021-08-11 EP disclosed
US-11053202-B2 Compositions for the treatment of hypertension and/or fibrosis VECTUS BIOSYSTEMS LIMITED (AU) 2021-07-06 US disclosed
EP-3640243-B1 PIPERAZINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION AND/OR FIBROSIS VECTUS BIOSYSTEMS LTD (AU) 2021-05-26 EP disclosed
EP-3640243-B1 PIPERAZINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION AND/OR FIBROSIS VECTUS BIOSYSTEMS LTD (AU) 2021-05-26 EP disclosed
US-20200255384-A9 Compositions for the Treatment of Hypertension and/or Fibrosis VECTUS BIOSYSTEMS LIMITED (AU) 2020-08-13 US disclosed
EP-3640243-A1 PIPERAZINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION AND/OR FIBROSIS Vectus Biosystems Limited (AU) 2020-04-22 EP disclosed
EP-3640243-A1 PIPERAZINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION AND/OR FIBROSIS Vectus Biosystems Limited (AU) 2020-04-22 EP disclosed
EP-3515895-A1 COMPOSITIONS FOR THE TREATMENT OF HYPERTENSION AND/OR FIBROSIS Vectus Biosystems Limited (AU) 2019-07-31 EP disclosed
US-20190225588-A1 Compositions for the Treatment of Hypertension and/or Fibrosis VECTUS BIOSYSTEMS LTD (AU) 2019-07-25 US disclosed
WO-2018053588-A1 COMPOSITIONS FOR THE TREATMENT OF HYPERTENSION AND/OR FIBROSIS VECTUS BIOSYSTEMS LIMITED (AU) 2018-03-29 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 (5 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-20210284612-A1 Compositions for the Treatment of Hypertension and/or Fibrosis TGFB1, REN, TGFB2 MIF 194/4885TRPA1 2574/4885ALDH1A1 1172/4885
US-20200255384-A9 Compositions for the Treatment of Hypertension and/or Fibrosis TGFB1, REN, TGFB2 MIF 194/4885TRPA1 2574/4885ALDH1A1 1172/4885
US-20190225588-A1 Compositions for the Treatment of Hypertension and/or Fibrosis TGFB1, REN, TGFB2 MIF 194/4885TRPA1 2574/4885ALDH1A1 1172/4885
US-11834417-B2 Compositions for the treatment of hypertension and/or fibrosis TGFB1, REN, TGFB2 MIF 194/4885TRPA1 2574/4885ALDH1A1 1172/4885
US-11053202-B2 Compositions for the treatment of hypertension and/or fibrosis TGFB1, REN, TGFB2 MIF 194/4885TRPA1 2574/4885ALDH1A1 1172/4885

“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.