SCHEMBL3645913

SCHEMBL3645913

CCCCC(N)CC(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
DPP7 Q9UHL4 4/20 0.42
SLC15A1 P46059 1/20 0.42
BIRC2 Q13490 1/20 0.40
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
ZDHHC7 Q9NXF8 1/20 0.39
ALDH1A1 P00352 1/20 0.39
DPP8 Q6V1X1 3/20 0.39
DPP4 P27487 2/20 0.39
DPP9 Q86TI2 2/20 0.39
S1PR2 O95136 6/20 0.38
S1PR1 P21453 6/20 0.38
TSHR P16473 1/20 0.38
S1PR3 Q99500 5/20 0.38
S1PR4 O95977 4/20 0.38

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
SCHEMBL8170345 1.00 CA1 (0.46) CA1CA2DPP7SLC15A1BIRC2
Hydrochloric Acid SCHEMBL3645912 0.98 CA1 (0.44) CA1CA2DPP7SLC15A1BIRC2
Acetic Acid SCHEMBL7368752 0.94 CA2 (0.42) CA1CA2DPP7SLC15A1BIRC2
Acetic Acid SCHEMBL7368757 0.94 CA2 (0.42) CA1CA2DPP7SLC15A1BIRC2
SCHEMBL15775039 0.94 ZDHHC7 (0.46) DPP7BIRC2SLC1A2SLC1A1ZDHHC7
SCHEMBL28655439 0.92 ZDHHC7 (0.49) BIRC2ZDHHC7ALDH1A1S1PR2S1PR1
SCHEMBL10382953 0.92 ZDHHC7 (0.49) BIRC2ZDHHC7ALDH1A1S1PR2S1PR1
SCHEMBL28932447 0.92 ZDHHC7 (0.49) BIRC2ZDHHC7ALDH1A1S1PR2S1PR1
SCHEMBL3889832 0.92 ZDHHC7 (0.49) BIRC2ZDHHC7ALDH1A1S1PR2S1PR1
SCHEMBL28655438 0.92 ZDHHC7 (0.49) BIRC2ZDHHC7ALDH1A1S1PR2S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377949-B2 Quinazolinedione chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-19 US disclosed
EP-2188277-B1 QUINAZOLINEDIONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2012-11-21 EP disclosed
US-20120122863-A1 Quinazolinedione Chymase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-17 US disclosed
EP-2188277-A1 QUINAZOLINEDIONE CHYMASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2010-05-26 EP disclosed
WO-2009023655-A1 QUINAZOLINEDIONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed
US-6114328-A ANTICOAGULANTS; BLOOD DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-09-05 US disclosed
US-5849736-A Isoxazoline and isoxazole fibrinogen receptor antagonists THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-12-15 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-20120122863-A1 Quinazolinedione Chymase Inhibitors CMA1, CTSC, TPSG1 CA1 3357/4885CA2 578/4885DPP7 13/4885

“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.