SCHEMBL4670706

SCHEMBL4670706

COC(=O)COc1ccc2cc(CNC(=O)c3cnn(-c4ccc(Cl)cc4)c3C(F)(F)F)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 9/20 0.53
TRPC3 Q13507 1/20 0.45
SMO Q99835 1/20 0.44
MAPT P10636 1/20 0.43
DGAT2 Q96PD7 1/20 0.42
LMNA P02545 1/20 0.42
DDR1 Q08345 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
DDR2 Q16832 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
MAP3K20 Q9NYL2 1/20 0.42
MAP3K2 Q9Y2U5 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CNR2 P34972 1/20 0.41
CYP1A1 P04798 1/20 0.41
HPGD P15428 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
SCHEMBL4673186 0.92 CCR1 (0.53) CCR1TRPC3SMOMAPTDGAT2
SCHEMBL4670311 0.88 CCR1 (0.47) CCR1TRPC3SMOMAPTDGAT2
SCHEMBL4670752 0.85 CCR1 (0.49) CCR1SMOMAPTMAPK14ALDH1A1
SCHEMBL2859678 0.85 CCR1 (0.55) CCR1TRPC3MAPTDGAT2LMNA
SCHEMBL2852791 0.82 CCR1 (0.57) CCR1TRPC3MAPTDGAT2LMNA
SCHEMBL2854425 0.81 CCR1 (0.60) CCR1TRPC3MAPTLMNADDR1
SCHEMBL2855705 0.81 CCR1 (0.56) CCR1TRPC3SMODGAT2DDR1
SCHEMBL2862276 0.80 CCR1 (0.70) CCR1TRPC3MAPTKDM4EALDH1A1
SCHEMBL4674361 0.80 CCR1 (0.47) CCR1TRPC3SMODDR1MAPK11
SCHEMBL2855580 0.79 CCR1 (0.62) CCR1TRPC3MAPTLMNADDR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1397341-B1 6-(ARYL-AMIDO OR ARYL-AMIDOMETHYL)-NAPHTHALEN-2-YLOXY-ACIDIC DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) WYETH CORP (US) 2008-08-06 EP disclosed
EP-1397341-A1 6-(ARYL-AMIDO OR ARYL-AMIDOMETHYL)-NAPHTHALEN-2-YLOXY-ACIDIC DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) Wyeth (US) 2004-03-17 EP disclosed
US-6589970-B2 This invention provides novel compounds, pharmaceutical compositions and methods of treating thrombotic disorders in mammals, the compounds having the formula: WYETH 2003-07-08 US disclosed
US-20030045560-A1 6-(Aryl-amido or aryl-amidomethyl)-naphthalen-2-yloxy-acidic derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1) WYETH 2003-03-06 US disclosed
WO-2003000649-A1 6-(ARYL-AMIDO OR ARYL-AMIDOMETHYL)-NAPHTHALEN-2-YLOXY-ACIDIC DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) WYETH (US) 2003-01-03 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 (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-20030045560-A1 6-(Aryl-amido or aryl-amidomethyl)-naphthalen-2-yloxy-acidic derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1) SERPINC1, F11, SERPINE1 CCR1 106/4885TRPC3 2028/4885SMO 2287/4885

“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.