SCHEMBL7362652

SCHEMBL7362652

CC(C)Oc1cc(C(=O)O)ccc1OC(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.52
PDE4D Q08499 6/20 0.52
PDE4B Q07343 5/20 0.52
PDE4C Q08493 5/20 0.52
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA7 P43166 1/20 0.50
TPMT P51580 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
KMT2A Q03164 1/20 0.50
HTT P42858 3/20 0.48
KDM4E B2RXH2 2/20 0.48
TSHR P16473 4/20 0.47
RAB9A P51151 3/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL21079189 1.00 PDE4A (0.52) PDE4APDE4DPDE4BPDE4CCA12
SCHEMBL1029279 0.92 PDE4A (0.59) PDE4APDE4DPDE4BPDE4CCA12
SCHEMBL3545163 0.92 KMT2A (0.58) PDE4BCA12CA1CA2CA4
SCHEMBL15521569 0.86 PARP10 (0.51) PDE4APDE4DPDE4BPDE4CHTT
SCHEMBL3536547 0.85 CA12 (0.71) PDE4APDE4DPDE4BPDE4CCA12
SCHEMBL2564619 0.85 CA12 (0.71) PDE4APDE4DPDE4BPDE4CCA12
SCHEMBL24079281 0.84 MAPT (0.49) PDE4APDE4DPDE4BPDE4CCA12
SCHEMBL1015345 0.83 CA12 (0.73) CA12CA1CA2CA4CA6
SCHEMBL3924278 0.83 CA12 (0.73) PDE4APDE4DPDE4BPDE4CCA12
SCHEMBL7362237 0.83 PDE4A (0.49) PDE4APDE4DPDE4BPDE4CCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115073329-B Novel leonurine derivative and preparation method and application thereof 中国海洋大学 2024-01-26 CN disclosed
CN-116354931-A Substituted oxazole derivative and application thereof in medicines 广东东阳光药业有限公司 2023-06-30 CN disclosed
CN-115073329-A Novel leonurine derivative and preparation method and application thereof 中国海洋大学 2022-09-20 CN disclosed
CN-115068462-A Application of novel leonurine marine derivative in preparation of medicines for preventing and treating inflammatory diseases or allergy 中国海洋大学 2022-09-20 CN disclosed
US-20220117944-A1 OINTMENT CONTAINING AN OXAZOLE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2022-04-21 US disclosed
EP-3397619-B1 OINTMENT OTSUKA PHARMA CO LTD (JP) 2020-07-29 EP disclosed
US-20200171006-A1 OINTMENT CONTAINING AN OXAZOLE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-06-04 US disclosed
US-10588893-B2 Ointment containing an oxazole compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-03-17 US disclosed
US-20190000810-A1 OINTMENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-01-03 US disclosed
WO-2017115780-A1 OINTMENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-07-06 WO disclosed
EP-0741707-B1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE POULENC RORER LTD (GB) 1998-04-01 EP disclosed
US-5712298-A Fluoroalkoxy-substituted benzamides and their use as cyclic nucleotide phosphodiesterase inhibitors BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-01-27 US disclosed
US-5698711-A INHIBITORS OF TUMOR NECROSIS FACTOR, CYCLIC ADENOSINE-3*,5*-MONOPHOSPHATE PHOSPHODIESTERASE AND EOSINOPHILS RHONE-POULENC RORER LIMITED (GB) 1997-12-16 US disclosed
US-5679696-A FOR INHIBITING TUMOR NECROSIS FACTOR; ENZYME INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1997-10-21 US disclosed
EP-0741707-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1996-11-13 EP disclosed
EP-0706513-A1 FLUOROALKOXY-SUBSTITUTED BENZAMIDES AND THEIR USE AS CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1996-04-17 EP disclosed
WO-1995020578-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-08-03 WO disclosed
EP-0652868-A1 INHIBITORS OF c-AMP PHOSPHODIESTERASE AND TNF RHONE-POULENC RORER LIMITED (GB) 1995-05-17 EP disclosed
WO-1995001338-A1 FLUOROALKOXY-SUBSTITUTED BENZAMIDES AND THEIR USE AS CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1995-01-12 WO disclosed
WO-1994002465-A1 INHIBITORS OF c-AMP PHOSPHODIESTERASE AND TNF RHONE-POULENC RORER LIMITED (GB) 1994-02-03 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-20200171006-A1 OINTMENT CONTAINING AN OXAZOLE COMPOUND PDE12, PDE4B, PDE4A PDE4A 3/4885PDE4D 8/4885PDE4B 2/4885
US-20220117944-A1 OINTMENT CONTAINING AN OXAZOLE COMPOUND PDE12, PDE4B, PDE4A PDE4A 3/4885PDE4D 8/4885PDE4B 2/4885
US-10588893-B2 Ointment containing an oxazole compound PDE12, PDE4B, PDE4A PDE4A 3/4885PDE4D 8/4885PDE4B 2/4885
US-20190000810-A1 OINTMENT PDE12, PDE4B, PDE4A PDE4A 3/4885PDE4D 8/4885PDE4B 2/4885

“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.