SCHEMBL17560293

SCHEMBL17560293

CCOc1c(C(=O)O)ccc(Br)c1CC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.49
TSHR P16473 2/20 0.49
THRB P10828 1/20 0.44
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 4/20 0.36
LMNA P02545 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
ABL1 P00519 1/20 0.36
GAA P10253 1/20 0.36
RIN1 Q13671 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 2/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
GABRP O00591 1/20 0.35

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
SCHEMBL31068664 0.86 HSD17B10 (0.42) HSD17B10TSHRTHRBMEN1KMT2A
SCHEMBL17560279 0.84 TSHR (0.43) HSD17B10TSHRTHRBMEN1KMT2A
SCHEMBL15312290 0.83 HSD17B10 (0.40) HSD17B10TSHRTHRBMEN1KMT2A
SCHEMBL5159925 0.82 HSD17B10 (0.39) HSD17B10TSHRTHRBMEN1KMT2A
Ethane SCHEMBL6908717 0.81 HSD17B10 (0.49) HSD17B10TSHRTHRBMEN1KMT2A
SCHEMBL27858196 0.80 TSHR (0.48) HSD17B10TSHRTHRBMEN1KMT2A
SCHEMBL7550971 0.80 HSD17B10 (0.51) HSD17B10TSHRTHRBMEN1KMT2A
SCHEMBL8529751 0.79 HSD17B10 (0.50) HSD17B10TSHRTHRBMEN1KMT2A
Hydrochloric Acid SCHEMBL2200718 0.79 TSHR (0.47) HSD17B10TSHRTHRBMEN1KMT2A
SCHEMBL6712302 0.78 POLB (0.36) HSD17B10TSHRMEN1KMT2ASMN1; SMN2

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
US-11028101-B2 3-oxa-8-azabicyclo[3.2.1]octane derivatives and their use in the treatment of cancer and hemoglobinopathies CTXT PTY LTD (AU) 2021-06-08 US disclosed
EP-3426635-B1 3-OXA-8-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER AND HEMOGLOBINOPATHIES CTXT PTY LTD (AU) 2021-05-05 EP disclosed
US-20200087320-A1 3-OXA-8-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER AND HEMOGLOBINOPATHIES CTXT PTY LTD (AU) 2020-03-19 US disclosed
US-20190092786-A1 3-OXA-8-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER AND HEMOGLOBINOPATHIES CTXT PTY LTD (AU) 2019-03-28 US disclosed
EP-3426635-A1 3-OXA-8-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AND THIER USE IN THE TREATMENT OF CANCER AND HEMOGLOBINOPATHIES Ctxt Pty Ltd (AU) 2019-01-16 EP disclosed
WO-2017153519-A1 3-OXA-8-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AND THIER USE IN THE TREATMENT OF CANCER AND HEMOGLOBINOPATHIES CTXT PTY LIMITED (AU) 2017-09-14 WO disclosed
EP-3189048-A1 AMINOINDANE-, AMINOTETRAHYDRONAPHTHALENE- AND AMINOBENZOCYCLOBUTANE-DERIVED PRMT5-INHIBITORS Ctxt Pty Ltd (AU) 2017-07-12 EP disclosed
WO-2016034671-A1 AMINOINDANE-, AMINOTETRAHYDRONAPHTHALENE- AND AMINOBENZOCYCLOBUTANE-DERIVED PRMT5-INHIBITORS CTXT PTY LTD (AU) 2016-03-10 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 (3 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-20200087320-A1 3-OXA-8-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER AND HEMOGLOBINOPATHIES HBB, HBZ, HBG2 HSD17B10 1214/4885TSHR 831/4885THRB 158/4885
US-11028101-B2 3-oxa-8-azabicyclo[3.2.1]octane derivatives and their use in the treatment of cancer and hemoglobinopathies HBB, HBZ, HBG2 HSD17B10 1227/4885TSHR 826/4885THRB 162/4885
US-20190092786-A1 3-OXA-8-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER AND HEMOGLOBINOPATHIES HBB, HBG2, HBZ HSD17B10 1258/4885TSHR 812/4885THRB 170/4885

“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.