SCHEMBL3726263

SCHEMBL3726263

NC(Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACE P12821 5/20 0.70
DPP4 P27487 4/20 0.69
DPP8 Q6V1X1 3/20 0.69
DPP9 Q86TI2 3/20 0.69
DPP7 Q9UHL4 3/20 0.69
FAP Q12884 2/20 0.69
LTA4H P09960 5/20 0.63
TACR1 P25103 1/20 0.56

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
SCHEMBL5900809 1.00 ACE (0.70) ACEDPP4DPP8DPP9DPP7
SCHEMBL29666849 1.00 ACE (0.70) ACEDPP4DPP8DPP9DPP7
SCHEMBL6436643 1.00 ACE (0.70) ACEDPP4DPP8DPP9DPP7
SCHEMBL4330942 1.00 ACE (0.70) ACEDPP4DPP8DPP9DPP7
SCHEMBL31026624 1.00 ACE (0.70) ACEDPP4DPP8DPP9DPP7
SCHEMBL7375090 1.00 ACE (0.70) ACEDPP4DPP8DPP9DPP7
SCHEMBL3726264 1.00 ACE (0.70) ACEDPP4DPP8DPP9DPP7
SCHEMBL6373910 0.99 ACE (0.69) ACEDPP4DPP8DPP9DPP7
SCHEMBL2879742 0.96 ACE (0.65) ACEDPP4DPP8DPP9DPP7
SCHEMBL2879744 0.96 ACE (0.65) ACEDPP4DPP8DPP9DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108929340-A Proline boric acid compound and its preparation method and application 北京大学 2018-12-04 CN claimed
CN-108929340-A Proline boric acid compound and its preparation method and application 北京大学 2018-12-04 CN disclosed
US-20180251489-A1 MALT1 INHIBITORS AND USES THEREOF Cornell University Cornell Center for Technology Enterprise & Commercialization (CCTEC) (US) 2018-09-06 US disclosed
US-20100280005-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-11-04 US disclosed
EP-0833839-A1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-04-08 EP disclosed
WO-1996040741-A1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-12-19 WO disclosed
WO-1996040742-A1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATEDDISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-12-19 WO disclosed
WO-1996040748-A1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-12-19 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-20100280005-A1 Renin Inhibitors REN, ACE, AGTR1 ACE 2/4885DPP4 67/4885DPP8 71/4885
US-20180251489-A1 MALT1 INHIBITORS AND USES THEREOF MALT1, BCL3, BCL6 ACE 4250/4885DPP4 2275/4885DPP8 1924/4885

“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.