SCHEMBL20945152

SCHEMBL20945152

COc1ccc(CN2CCCC2COS(C)(=O)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.53
HDAC8 Q9BY41 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC1 Q13547 1/20 0.51
TRPV6 Q9H1D0 1/20 0.51
HRH3 Q9Y5N1 2/20 0.47
SIGMAR1 Q99720 2/20 0.46
SPHK1 Q9NYA1 1/20 0.46
CHRM2 P08172 1/20 0.46
OPRM1 P35372 1/20 0.45
OPRK1 P41145 1/20 0.45
CASP3 P42574 1/20 0.45
CASP7 P55210 1/20 0.45
HRH2 P25021 1/20 0.44
MAPK1 P28482 1/20 0.43

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
SCHEMBL1048693 0.82 OPRD1 (0.51) HDAC8HDAC6HDAC1SPHK1
SCHEMBL20945190 0.80 SPHK2 (0.76) SPHK2SIGMAR1SPHK1
SCHEMBL17154894 0.77 GBA1 (0.43) SPHK1
SCHEMBL10462020 0.77 SPHK2 (0.55) SPHK2HRH3SIGMAR1CHRM2HRH2
SCHEMBL16416167 0.75 SPHK1 (0.47) SPHK2SPHK1
SCHEMBL28275939 0.74 HRH3 (0.47) SPHK2HRH3SIGMAR1CHRM2OPRM1
SCHEMBL9739334 0.74 TRPV6 (0.59) TRPV6HRH3
SCHEMBL5195704 0.73 SPHK2 (0.52) SPHK2HDAC8HDAC6HDAC1SIGMAR1
Hydrochloric Acid SCHEMBL28531240 0.73 SPHK2 (0.49) SPHK2HRH3SIGMAR1CHRM2HRH2
SCHEMBL13479179 0.72 HDAC8 (0.64) SPHK2HDAC8HDAC6HDAC1TRPV6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109415345-B Pyridazinone-based broad-spectrum anti-influenza inhibitors 豪夫迈·罗氏有限公司 2022-01-11 CN disclosed
EP-3478671-B1 PYRIDAZINONE-BASED BROAD SPECTRUM ANTI-INFLUENZA INHIBITORS HOFFMANN LA ROCHE (CH) 2020-05-13 EP disclosed
US-10597380-B2 Pyridazinone-based broad spectrum anti-influenza inhibitors HOFFMANN-LA ROCHE INC. (US) 2020-03-24 US disclosed
US-20190127349-A1 PYRIDAZINONE-BASED BROAD SPECTRUM ANTI-INFLUENZA INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2019-05-02 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-20190127349-A1 PYRIDAZINONE-BASED BROAD SPECTRUM ANTI-INFLUENZA INHIBITORS ABCG2, PIR, PRNP SPHK2 3424/4885HDAC8 213/4885HDAC6 6/4885
US-10597380-B2 Pyridazinone-based broad spectrum anti-influenza inhibitors ABCG2, PIR, PRNP SPHK2 3424/4885HDAC8 213/4885HDAC6 6/4885

“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.