SCHEMBL17295986

SCHEMBL17295986

COC(C(=O)O)c1cccc(OC(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.45
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
TAS2R14 Q9NYV8 1/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GLS O94925 6/20 0.41
PPARG P37231 3/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
DRD1 P21728 1/20 0.40
PPARA Q07869 1/20 0.40

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
SCHEMBL1145682 0.85 L3MBTL1 (0.56) PTGS1L3MBTL1MTNR1AMTNR1B
SCHEMBL18890289 0.85 L3MBTL1 (0.56) PTGS1L3MBTL1MTNR1AMTNR1B
SCHEMBL29544093 0.85 L3MBTL1 (0.56) PTGS1L3MBTL1MTNR1AMTNR1B
SCHEMBL29544040 0.85 L3MBTL1 (0.56) PTGS1L3MBTL1MTNR1AMTNR1B
SCHEMBL21326187 0.85 L3MBTL1 (0.56) PTGS1L3MBTL1MTNR1AMTNR1B
SCHEMBL29392091 0.85 GPR139 (0.46) PTGS1GLSPPARG
SCHEMBL29017154 0.85 GPR139 (0.46) PTGS1GLSPPARG
SCHEMBL17295978 0.85 GPR139 (0.46) PTGS1GLSPPARG
Hydrochloric Acid SCHEMBL7051120 0.84 L3MBTL1 (0.55) PTGS1L3MBTL1MTNR1AMTNR1B
SCHEMBL17295988 0.84 GLS (0.42) PTGS1L3MBTL1TAS2R14MEN1KMT2A

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 44 patents — showing the first 20. 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
CN-108349951-B Bispyridazine compound 阿斯利康(瑞典)有限公司 2020-11-13 CN disclosed
EP-3380468-B1 BIS-PYRIDAZINE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2020-05-20 EP disclosed
EP-3380468-B1 BIS-PYRIDAZINE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2020-05-20 EP disclosed
US-10577354-B2 Bis-pyridazine compounds and their use in treating cancer CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2020-03-03 US disclosed
US-10577354-B2 Bis-pyridazine compounds and their use in treating cancer CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2020-03-03 US disclosed
CN-106795150-B 1,3,4- thiadiazole compound and its purposes in treating cancer 阿斯利康(瑞典)有限公司 2019-10-15 CN disclosed
EP-3383871-B1 1,3,4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2019-09-11 EP disclosed
EP-3383871-B1 1,3,4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2019-09-11 EP disclosed
US-20190169172-A1 bis-Pyridazine Compounds and Their Use in Treating Cancer ASTRAZENECA AB (SE) 2019-06-06 US disclosed
WO-2017089587-A1 BIS-PYRIDAZINE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2017-06-01 WO disclosed
WO-2017089587-A1 BIS-PYRIDAZINE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2017-06-01 WO disclosed
US-20170152244-A1 bis-Pyridazine Compounds and Their Use in Treating Cancer ASTRAZENECA AB (SE) 2017-06-01 US disclosed
US-20170152254-A1 1,3,4-Thiadiazole Compounds and Their Use in Treating Cancer ASTRAZENECA AB (SE) 2017-06-01 US disclosed
US-20170152254-A1 1,3,4-Thiadiazole Compounds and Their Use in Treating Cancer ASTRAZENECA AB (SE) 2017-06-01 US disclosed
US-20170152244-A1 bis-Pyridazine Compounds and Their Use in Treating Cancer ASTRAZENECA AB (SE) 2017-06-01 US disclosed
CN-106795150-A 1,3,4 thiadiazole compounds and its purposes in treating cancer 阿斯利康(瑞典)有限公司 2017-05-31 CN disclosed
EP-3148994-A1 1, 3, 4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER Astrazeneca AB (SE) 2017-04-05 EP disclosed
WO-2015181539-A1 1, 3, 4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2015-12-03 WO disclosed
WO-2015181539-A1 1, 3, 4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2015-12-03 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-10577354-B2 Bis-pyridazine compounds and their use in treating cancer GLS2, GLS, GLUL PTGS1 433/4885KDM4E 700/4885L3MBTL1 1924/4885
US-20190169172-A1 bis-Pyridazine Compounds and Their Use in Treating Cancer GLS2, GLS, GLUL PTGS1 320/4885KDM4E 730/4885L3MBTL1 1719/4885
US-20170152244-A1 bis-Pyridazine Compounds and Their Use in Treating Cancer GLS2, GLS, GLUL PTGS1 433/4885KDM4E 700/4885L3MBTL1 1924/4885
US-20170152254-A1 1,3,4-Thiadiazole Compounds and Their Use in Treating Cancer GLS2, GLS, GLUL PTGS1 287/4885KDM4E 455/4885L3MBTL1 2213/4885

“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.