SCHEMBL5444249

SCHEMBL5444249

COC(=O)c1cccc(F)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
LMNA P02545 1/20 0.48
ALDH1A1 P00352 5/20 0.47
KMT2A Q03164 5/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
CFTR P13569 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 5/20 0.46
POLB P06746 2/20 0.46
ATM Q13315 1/20 0.46
HPGD P15428 2/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RAB9A P51151 1/20 0.44
CYP1A2 P05177 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
SCHEMBL3511611 0.86 TSHR (0.57) TSHRLMNAALDH1A1KMT2ASLC6A3
SCHEMBL28266600 0.85 CES2 (0.45) ALDH1A1KMT2ANPC1SMN1; SMN2POLB
SCHEMBL1341386 0.84 KMT2A (0.50) TSHRALDH1A1KMT2ASLC6A4SLC6A3
SCHEMBL1261333 0.83 KMT2A (0.50) LMNAALDH1A1KMT2ANPC1SMN1; SMN2
SCHEMBL184046 0.83 ALB (0.55) ALDH1A1KMT2AHSD17B10NPC1SMN1; SMN2
SCHEMBL29933044 0.83 ALB (0.55) ALDH1A1KMT2AHSD17B10NPC1SMN1; SMN2
SCHEMBL12492132 0.83 ALDH1A1 (0.47) TSHRLMNAALDH1A1KMT2ASLC6A4
SCHEMBL28289327 0.83 KMT2A (0.39) ALDH1A1KMT2AHSD17B10NPC1SMN1; SMN2
SCHEMBL27471522 0.82 KMT2A (0.48) LMNAALDH1A1KMT2ANPC1SMN1; SMN2
SCHEMBL28829625 0.82 TDP1 (0.52) TSHRLMNAALDH1A1KMT2ASLC6A4

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110141570-A Medical compounds 西雅图遗传学公司 2019-08-20 CN disclosed
CN-110143950-A Medical compounds 西雅图遗传学公司 2019-08-20 CN disclosed
CN-106170288-B Pharmaceutical compounds 西雅图遗传学公司 2019-07-19 CN disclosed
US-9783522-B2 2-amino-pyridine and 2-amino-pyrimidine derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-10-10 US disclosed
US-9783522-B2 2-amino-pyridine and 2-amino-pyrimidine derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-10-10 US disclosed
US-20170044133-A1 NOVEL 2-AMINO-PYRIDINE AND 2-AMINO-PYRIMIDINE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-16 US disclosed
US-20170044133-A1 NOVEL 2-AMINO-PYRIDINE AND 2-AMINO-PYRIMIDINE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-16 US disclosed
CN-104853757-A 4-heteroaryl substituted benzoic acid compounds as ROR gamma T inhibitors and uses thereof MERCK SHARP & DOHME 2015-08-19 CN disclosed
CN-104822377-A N-alkylated indole and indazole compounds as ROR gamma T inhibitors and uses thereof MERCK SHARP & DOHME 2015-08-05 CN disclosed
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 US disclosed
US-20070270446-A1 Reversed Pyrimidinone Compounds as Calcilytics SMITHKLINE BEECHAM CORPORATION (US) 2007-11-22 US disclosed
EP-1809611-A1 REVERSED PYRIMIDINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2007-07-25 EP disclosed
WO-2006041968-A1 REVERSED PYRIMIDINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2006-04-20 WO disclosed
EP-0266980-B1 PHARMACEUTICAL COMPOSITIONS, COMPRISING A 2,4-DIPHENYL-1,3-DIOXANE DERIVATIVE AND AN INHIBITOR OF THROMBOXANE A2 SYNTHESIS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-10-28 EP disclosed
EP-0201354-B1 2,4-DIPHENYL-1,3-DIOXANES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-09-19 EP disclosed
US-4908380-A Substituted 1,3-dioxane ether derivative; thromboxane A2 inhibitor IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-03-13 US disclosed
US-4895962-A THROMBOXANE A2 ANTAGONISTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-01-23 US disclosed
US-4775685-A THROMBOXANE A-2 ANTAGONISTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-10-04 US disclosed
EP-0266980-A2 Pharmaceutical compositions, comprising a 2,4-diphenyl-1,3-dioxane derivative and an inhibitor of thromboxane A2 synthesis IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-05-11 EP disclosed
EP-0201354-A2 2,4-Diphenyl-1,3-Dioxanes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-11-12 EP 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-20070270446-A1 Reversed Pyrimidinone Compounds as Calcilytics PTMS, CALCR, TYMP TSHR 2935/4885LMNA 845/4885ALDH1A1 3806/4885
US-20170044133-A1 NOVEL 2-AMINO-PYRIDINE AND 2-AMINO-PYRIMIDINE DERIVATIVES AND MEDICINAL USE THEREOF ENPP2, ATXN2, ATXN2L TSHR 2255/4885LMNA 2206/4885ALDH1A1 3768/4885
US-20090137557-A1 Calcilytic Compounds CALCR, SOST, CALCB TSHR 3409/4885LMNA 1316/4885ALDH1A1 4674/4885

“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.