SCHEMBL20498221

SCHEMBL20498221

CC(C)(C)OC(=O)Nc1cccc2c(O)c(Cl)ccc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.47
▸ HSP90AB1 P08238 1/20 0.47
▸ TRPV1 Q8NER1 3/20 0.42
▸ P2RX7 Q99572 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.40
▸ LCK P06239 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 1/20 0.39
▸ METAP1 P53582 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HSD11B1 P28845 1/20 0.38
▸ PARP14 Q460N5 1/20 0.38
▸ ATR Q13535 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL20498165 0.85 ALDH1A1 (0.43) HSP90AA1HSP90AB1TRPV1P2RX7RXFP1
SCHEMBL23186225 0.84 RXFP1 (0.43) HSP90AA1HSP90AB1TRPV1RXFP1ALDH1A1
SCHEMBL6241238 0.81 TRPV1 (0.50) HSP90AA1HSP90AB1TRPV1RXFP1ALDH1A1
SCHEMBL5351442 0.80 PARP14 (0.54) TRPV1RXFP1ALDH1A1HPGDPOLB
SCHEMBL20498063 0.78 TRPV1 (0.49) TRPV1ALDH1A1HPGDPARP14MEN1
SCHEMBL3784448 0.78 GPR35 (0.50) HSP90AA1HSP90AB1P2RX7RXFP1LCK
SCHEMBL8016617 0.77 TRPV1 (0.43) TRPV1ALDH1A1HPGDPOLBLMNA
SCHEMBL5367134 0.77 RXFP1 (0.50) RXFP1ALDH1A1HPGDMETAP1POLB
SCHEMBL20498263 0.77 SLC2A1 (0.39) HSP90AA1HSP90AB1P2RX7RXFP1ALDH1A1
SCHEMBL28146075 0.77 MEN1 (0.60) LCKALDH1A1LMNAMEN1MAPK1

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
US-10968203-B2 Pyrimidinyl-pyridyloxy-naphthyl compounds and methods of treating IRE1-related diseases and disorders GENENTECH, INC. (US) 2021-04-06 — — US disclosed
US-10968203-B2 Pyrimidinyl-pyridyloxy-naphthyl compounds and methods of treating IRE1-related diseases and disorders GENENTECH, INC. (US) 2021-04-06 — — US disclosed
CN-111247136-A Pyrimidinyl-pyridyloxy-naphthyl compounds and methods of treating diseases and disorders associated with IRE1 吉宁特有限公司 2020-06-05 — — CN disclosed
US-20180265497-A1 PYRIMIDINYL-PYRIDYLOXY-NAPHTHYL COMPOUNDS AND METHODS OF TREATING IRE1-RELATED DISEASES AND DISORDERS GENENTECH, INC. (US) 2018-09-20 — — 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-10968203-B2 Pyrimidinyl-pyridyloxy-naphthyl compounds and methods of treating IRE1-related diseases and disorders XBP1, ERN1, ATF4 HSP90AA1 798/4885HSP90AB1 420/4885TRPV1 2131/4885
US-20180265497-A1 PYRIMIDINYL-PYRIDYLOXY-NAPHTHYL COMPOUNDS AND METHODS OF TREATING IRE1-RELATED DISEASES AND DISORDERS XBP1, ERN1, ATF4 HSP90AA1 798/4885HSP90AB1 420/4885TRPV1 2131/4885

“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.

Send feedback