SCHEMBL4054650

SCHEMBL4054650

CCc1onc(C(=O)O)c1C(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ CYP2C9 P11712 3/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ GPBAR1 Q8TDU6 3/20 0.41
▸ CYP1A1 P04798 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2E1 P05181 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C8 P10632 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2A6 P11509 1/20 0.41
▸ CYP4B1 P13584 1/20 0.41
▸ CYP2B6 P20813 1/20 0.41
▸ CYP3A5 P20815 1/20 0.41
▸ CYP2A7 P20853 1/20 0.41
▸ CYP3A7 P24462 1/20 0.41
▸ CYP2F1 P24903 1/20 0.41
▸ CYP2C18 P33260 1/20 0.41
▸ CYP2J2 P51589 1/20 0.41

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
SCHEMBL2565323 0.79 PTPN1 (0.61) PTGS1PTGS2CYP2C9CYP2C19GPBAR1
SCHEMBL996654 0.79 ALDH1A1 (0.57) GPBAR1PTPN1ALDH1A1MAPTLMNA
SCHEMBL4054647 0.78 PTPN1 (0.41) PTPN1ALDH1A1MAPTLMNAGAA
SCHEMBL27627398 0.77 ALDH1A1 (0.45) PTPN1ALDH1A1MAPTLMNAGAA
SCHEMBL4707514 0.74 ALDH1A1 (0.48) CYP2C9CYP2C19CYP3A4ALDH1A1MAPT
SCHEMBL2473730 0.73 PTGS1 (0.61) PTGS1PTGS2CYP2C9CYP2C19GPBAR1
SCHEMBL27365043 0.73 CATSPER1 (0.40) CYP2C9CYP2C19CYP3A4PTPN1ALDH1A1
SCHEMBL11495147 0.72 ALDH1A1 (0.46) CYP3A4ALDH1A1MAPTLMNAGAA
SCHEMBL16571684 0.71 GRIA1 (0.44) PTGS1PTGS2CYP2C9CYP2C19GPBAR1
SCHEMBL22518540 0.71 HCAR2 (0.43) PTGS1PTGS2CYP2C9CYP2C19GPBAR1

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-7511038-B2 Pyridazin-3(2H)-one derivatives and their use as PDE4 inhibitors LABORATORIOS ALMIRALL S.A. (ES) 2009-03-31 — — US disclosed
US-20070197536-A1 phosphodiesterase enzyme inhibitor; 4-[(3-chlorophenyl)amino]-2-ethyl-5-(1-hydroxyethyl)-6-phenylpyridazin-3(2H)-one; potent antiinflammatory agent; asthma, atopic dermatitis, psoriasis, chronic obstructive pulmonary disease, rheumatoid arthritis, irritable bowel disease LABORATORIOS ALMIRALL, S.A. (ES) 2007-08-23 — — US disclosed
EP-1682519-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS Almirall Prodesfarma, S.A. (ES) 2006-07-26 — — EP disclosed
WO-2005049581-A1 PYRIDAZIN-3 (2H) -ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ALMIRALL PRODESFARMA, S.A. (ES) 2005-06-02 — — 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 (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-20070197536-A1 phosphodiesterase enzyme inhibitor; 4-[(3-chlorophenyl)amino]-2-ethyl-5-(1-hydroxyethyl)-6-phenylpyridazin-3(2H)-one; potent antiinflammatory agent; asthma, atopic dermatitis, psoriasis, chronic obstructive pulmonary disease, rheumatoid arthritis, irritable bowel disease PDE12, PDE4A, PDE7A PTGS1 56/4885PTGS2 133/4885CYP2C9 84/4885

“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.

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