SCHEMBL1421137

SCHEMBL1421137

COc1cccc(CNc2ccc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)c(C(F)(F)F)c2)c1Oc1ccc([N+](=O)[O-])cc1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 19/20 1.00
SLC6A9 P48067 1/20 0.46
SLC6A5 Q9Y345 1/20 0.46

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
SCHEMBL7088443 0.95 SERPINE1 (0.90) SERPINE1SLC6A9SLC6A5
SCHEMBL7088465 0.89 SERPINE1 (0.80) SERPINE1
SCHEMBL7089125 0.87 SERPINE1 (1.00) SERPINE1SLC6A9SLC6A5
SCHEMBL7090422 0.84 SERPINE1 (0.73) SERPINE1
SCHEMBL7087984 0.84 SERPINE1 (0.73) SERPINE1
SCHEMBL7089111 0.84 SERPINE1 (0.72) SERPINE1SLC6A9SLC6A5
SCHEMBL7084535 0.82 SERPINE1 (0.69) SERPINE1
SCHEMBL7087684 0.81 SERPINE1 (0.68) SERPINE1SLC6A9SLC6A5
SCHEMBL7089118 0.81 SERPINE1 (0.68) SERPINE1SLC6A9SLC6A5
SCHEMBL7088445 0.81 SERPINE1 (1.00) SERPINE1

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
US-20110105574-A1 PAI-1 EXPRESSION AND ACTIVITY INHIBITORS FOR THE TREATMENT OF OCULAR DISORDERS ALCON RESEARCH, LTD. (US) 2011-05-05 US disclosed
EP-2296647-A2 PAI-1 EXPRESSION AND ACTIVITY INHIBITORS FOR THE TREATMENT OF OCULAR DISORDERS Alcon Research, Ltd. (US) 2011-03-23 EP disclosed
WO-2009131850-A2 PAI-1 EXPRESSION AND ACTIVITY INHIBITORS FOR THE TREATMENT OF OCULAR DISORDERS ALCON RESEARCH, LTD. (US) 2009-10-29 WO disclosed
US-20090202524-A1 PAI-1 EXPRESSION AND ACTIVITY INHIBITORS FOR THE TREATMENT OF OCULAR DISORDERS ALCON RESEARCH, LTD. (US) 2009-08-13 US disclosed
WO-2003080060-A1 SUBSTITUTED PIPERAZINE ANTITHROMBOTIC PAI-1 INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-02 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 (2 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-20090202524-A1 PAI-1 EXPRESSION AND ACTIVITY INHIBITORS FOR THE TREATMENT OF OCULAR DISORDERS SERPINE1, SERPINC1, SERPINB1 SERPINE1 1/4885SLC6A9 4624/4885SLC6A5 4615/4885
US-20110105574-A1 PAI-1 EXPRESSION AND ACTIVITY INHIBITORS FOR THE TREATMENT OF OCULAR DISORDERS SERPINE1, SERPINC1, SERPINB1 SERPINE1 1/4885SLC6A9 4624/4885SLC6A5 4615/4885

“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.