SCHEMBL6616038

SCHEMBL6616038

CC(C)(O)c1ccc(CN)s1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 3/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2A6 P11509 3/20 0.38
CYP2C9 P11712 3/20 0.38
CYP2B6 P20813 3/20 0.38
CYP2C19 P33261 3/20 0.38
LOX P28300 16/20 0.37
LTA4H P09960 1/20 0.36
LOXL2 Q9Y4K0 2/20 0.35
CYP2D6 P10635 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C8 P10632 1/20 0.33
MAOA P21397 1/20 0.33

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
SCHEMBL2694202 0.83 CYP2E1 (0.45) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL15220425 0.81 ALDH1A1 (0.40)
SCHEMBL7373074 0.80 CYP2E1 (0.36) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL132517 0.79 ALDH1A1 (0.32)
SCHEMBL19558695 0.78 CYP2E1 (0.37) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL19558765 0.75 CYP2E1 (0.35) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL7369259 0.74 CYP2A6 (0.41) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL14310957 0.72 YEATS4 (0.44) LOXLOXL2
SCHEMBL19558830 0.72 LOX (0.33) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL16422278 0.71 CYP2A6 (0.38) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1252157-B1 PYRIMIDINE CARBOXAMIDES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER PROD INC (US) 2004-06-23 EP claimed
US-6740655-B2 3',5'-CYCLIC NUCLEOTIDE PHOSPHODIESTERASE 4-SPECIFIC INHIBITORS REDUCE EOSINOPHIL INFLUX TO THE LUNGS; SIDE EFFECT REDUCTION; ANTIINFLAMMATORY AGENT; ANTIALLERGENS; RESPIRATORY SYSTEM DISORDERS, ESPECIALLY ASTHMA PFIZER INC 2004-05-25 US claimed
US-20030144300-A1 Pyrimidine carboxamides useful as inhibitors of pde4 isozymes PFIZER PRODUCTS INC. 2003-07-31 US claimed
EP-1252157-A1 PYRIMIDINE CARBOXAMIDES USEFUL AS INHIBITORS OF PDE4 ISOZYMES Pfizer Products Inc. (US) 2002-10-30 EP claimed
WO-2001057025-A1 PYRIMIDINE CARBOXAMIDES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER PRODUCTS INC. (US) 2001-08-09 WO claimed
US-6740655-B2 3',5'-CYCLIC NUCLEOTIDE PHOSPHODIESTERASE 4-SPECIFIC INHIBITORS REDUCE EOSINOPHIL INFLUX TO THE LUNGS; SIDE EFFECT REDUCTION; ANTIINFLAMMATORY AGENT; ANTIALLERGENS; RESPIRATORY SYSTEM DISORDERS, ESPECIALLY ASTHMA PFIZER INC 2004-05-25 US disclosed
US-6380218-B1 FOR THERAPY OF RESPIRATORY, ALLERGIC, AND INFLAMMATORY DISORDERS COMPRISING ASTHMA, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, ACUTE RESPIRATORY DISEASE SYNDROME, PULMONARY HYPERSENSITIVITY, AND ALLERGIC RHINITIS IN A MAMMAL PFIZER INC 2002-04-30 US disclosed
EP-0971894-A1 NICOTINAMIDE DERIVATIVES Pfizer Products Inc. (US) 2000-01-19 EP disclosed
WO-1998045268-A1 NICOTINAMIDE DERIVATIVES PFIZER PRODUCTS INC. (US) 1998-10-15 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-20030144300-A1 Pyrimidine carboxamides useful as inhibitors of pde4 isozymes PDE12, PDE4A, PDE4B CYP2E1 616/4885CYP3A4 90/4885CYP2A6 429/4885

“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.