SCHEMBL588642

SCHEMBL588642

CC(C)(C)C(O)C(Cc1ccoc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.42
PTGS2 P35354 4/20 0.42
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40
ALOX5 P09917 2/20 0.36
CYP3A4 P08684 1/20 0.35
DPP4 P27487 1/20 0.34
MME P08473 2/20 0.34
CETP P11597 1/20 0.33
TPH1 P17752 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
TRPA1 O75762 2/20 0.33
ACACB O00763 1/20 0.32
HCAR3 P49019 1/20 0.32
LMNA P02545 2/20 0.32
CYP2C9 P11712 2/20 0.32
AKR1C3 P42330 2/20 0.32
CXCR1 P25024 2/20 0.32
CXCR2 P25025 2/20 0.32

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
SCHEMBL588643 1.00 PTGS1 (0.42) PTGS1PTGS2SLC1A3SLC1A2SLC1A1
SCHEMBL537569 0.70 SLC7A5 (0.58) PTGS1PTGS2SLC1A3SLC1A2SLC1A1
SCHEMBL537570 0.70 SLC7A5 (0.58) PTGS1PTGS2SLC1A3SLC1A2SLC1A1
SCHEMBL588601 0.70 SLC7A5 (0.58) PTGS1PTGS2SLC1A3SLC1A2SLC1A1
SCHEMBL29064117 0.70
SCHEMBL10209899 0.70 PTGS1 (0.45) PTGS1PTGS2SLC1A3SLC1A2SLC1A1
SCHEMBL24967352 0.70 PTGS1 (0.34) PTGS1PTGS2SLC1A3SLC1A2SLC1A1
SCHEMBL2671472 0.69 CYP1A2 (0.46) PTGS1PTGS2SLC1A3SLC1A2SLC1A1
SCHEMBL27599333 0.69 SLC1A3 (0.42) PTGS1PTGS2SLC1A3SLC1A2SLC1A1
SCHEMBL590414 0.68 ACE (0.57)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114878-B2 6,7-dihydrothieno[3,2-d]pyrimidine for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-14 US disclosed
US-20080096882-A1 PDE4 (Phosphodiesterase) inhibitors; respiratory diseases, gastrointestinal diseases, inflammation the joints, skin or eyes, cancers, or diseases of the peripheral or central nervous system BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-24 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-20080096882-A1 PDE4 (Phosphodiesterase) inhibitors; respiratory diseases, gastrointestinal diseases, inflammation the joints, skin or eyes, cancers, or diseases of the peripheral or central nervous system PDE4A, PDE4B, PDE12 PTGS1 72/4885PTGS2 239/4885SLC1A3 3978/4885

“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.