SCHEMBL18890302

SCHEMBL18890302

O=S(=O)(Oc1cc(Cl)cnn1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CNR2 P34972 1/20 0.31
HTR1A P08908 1/20 0.30
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30
CHRM1 P11229 1/20 0.30
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL17436150 0.80 DRD2 (0.32) PDE4APDE4CPDE4DCA1CA2
SCHEMBL15729522 0.73 GABRG2 (0.40) PDE4APDE4CPDE4DADORA2AADORA1
SCHEMBL1477311 0.72 EPAS1 (0.43) ADORA2AADORA1
SCHEMBL15825213 0.72 EPAS1 (0.32)
SCHEMBL1017950 0.71 PDE4A (0.42) PDE4APDE4CPDE4DADORA2AADORA1
SCHEMBL18791386 0.71 PDE4A (0.43) PDE4APDE4CPDE4DADORA2AADORA1
SCHEMBL30046151 0.71 PDE4A (0.46) PDE4APDE4CPDE4DADORA2AADORA1
SCHEMBL26685340 0.71 PDE4A (0.46) PDE4APDE4CPDE4DADORA2AADORA1
SCHEMBL1574305 0.71 PDE4A (0.46) PDE4APDE4CPDE4DADORA2AADORA1
SCHEMBL1396872 0.71 PDE4A (0.48) PDE4APDE4CPDE4DADORA2AADORA1

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-108349967-B 1,3, 4-thiadiazole compounds and their use in the treatment of cancer 阿斯利康(瑞典)有限公司 2022-02-15 CN disclosed
EP-3383871-B1 1,3,4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2019-09-11 EP disclosed
US-9938265-B2 1,3,4-thiadiazole compounds and their use in treating cancer ASTRAZENECA AB (SE) 2018-04-10 US disclosed
US-20170152254-A1 1,3,4-Thiadiazole Compounds and Their Use in Treating Cancer ASTRAZENECA AB (SE) 2017-06-01 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 (1 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-20170152254-A1 1,3,4-Thiadiazole Compounds and Their Use in Treating Cancer GLS2, GLS, GLUL PDE4A 3044/4885PDE4C 3618/4885PDE4D 2894/4885

“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.