SCHEMBL1709985

SCHEMBL1709985

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nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 9/20 0.38
CTSD P07339 9/20 0.38
CTSE P14091 9/20 0.38
ABCB1 P08183 2/20 0.35

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
SCHEMBL18737337 0.90 BACE1 (0.39) BACE1CTSDCTSEABCB1
SCHEMBL18463911 0.89 BACE1 (0.37) BACE1CTSDCTSEABCB1
SCHEMBL17526955 0.88 BACE1 (0.41) BACE1CTSDCTSEABCB1
SCHEMBL31634286 0.82 ALDH1A1 (0.41) BACE1CTSDCTSE
SCHEMBL18127454 0.82 BACE1 (0.33) BACE1CTSDCTSEABCB1
SCHEMBL23109986 0.82 BACE1 (0.39) BACE1CTSDCTSEABCB1
SCHEMBL18123638 0.82 ALDH1A1 (0.39)
SCHEMBL31634285 0.81 ALDH1A1 (0.40) BACE1CTSDCTSEABCB1
SCHEMBL21843036 0.81 BACE1 (0.36) BACE1CTSDCTSE
SCHEMBL17920236 0.81 BACE1 (0.33) BACE1CTSDCTSE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170029469-A1 CYCLOSPORIN ANALOGS ALLERGAN, INC. 2017-02-02 US disclosed
US-9493511-B2 Cyclosporin analogs ALLERGAN, INC. (US) 2016-11-15 US disclosed
US-20160289271-A1 Cyclosporins Modified on the MeBmt Sidechain by Heterocyclic Rings ALLERGAN, INC. 2016-10-06 US disclosed
US-20160200767-A1 CYCLOSPORIN DERIVATIVES WHEREIN THE MEBMT SIDECHAIN HAS BEEN CYCLIZED ALLERGAN, INC. 2016-07-14 US disclosed
US-9266927-B2 Cyclosporin A analogs ALLERGAN, INC. (US) 2016-02-23 US disclosed
US-20160039880-A1 CYCLOSPORIN A ANALOGS ALLERGAN, INC. 2016-02-11 US disclosed
US-20150065433-A1 CYCLOSPORIN ANALOGS ALLERGAN, INC. (US) 2015-03-05 US disclosed
US-20140128329-A1 OPHTHALMIC COMPOSITIONS COMPRISING POLYVINYL CAPROLACTAM-POLYVINYL ACETATE-POLYETHYLENE GLYCOL GRAFT COPOLYMERS ALLERGAN, INC. (US) 2014-05-08 US disclosed
US-20120088734-A1 Cyclosporin Analogs ALLERGAN, INC. (US) 2012-04-12 US disclosed
US-7696166-B2 Use of cyclosporin alkyne/alkene analogues for preventing or treating viral-induced disorders ALBANY MOLECULAR RESEARCH, INC. (US) 2010-04-13 US disclosed
US-20080249002-A1 CYCLOSPORIN ALKYNE ANALOGUES AND THEIR PHARMACEUTICAL USES AMR TECHNOLOGY, INC. (US) 2008-10-09 US disclosed
US-20070232531-A1 Use of cyclosporin alkyne/alkene analogues for preventing or treating viral-induced disorders AMR TECHNOLOGY, INC. (US) 2007-10-04 US disclosed
US-20070232532-A1 Use of cyclosporin alkene analogues for preventing or treating viral-induced disorders AMR TECHNOLOGY, INC. (US) 2007-10-04 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 (10 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-20160039880-A1 CYCLOSPORIN A ANALOGS TSLP, CHP1, PPP3R1 BACE1 2445/4885CTSD 584/4885CTSE 578/4885
US-20150065433-A1 CYCLOSPORIN ANALOGS CHP1, TSLP, PPP3R1 BACE1 2709/4885CTSD 504/4885CTSE 607/4885
US-20120088734-A1 Cyclosporin Analogs CHP1, TSLP, PPP3R1 BACE1 2709/4885CTSD 504/4885CTSE 607/4885
US-20170029469-A1 CYCLOSPORIN ANALOGS CHP1, TSLP, PPP3R1 BACE1 2709/4885CTSD 504/4885CTSE 607/4885
US-20140128329-A1 OPHTHALMIC COMPOSITIONS COMPRISING POLYVINYL CAPROLACTAM-POLYVINYL ACETATE-POLYETHYLENE GLYCOL GRAFT COPOLYMERS PDE6D, PDE6C, UACA BACE1 4845/4885CTSD 4643/4885CTSE 4407/4885
US-20080249002-A1 CYCLOSPORIN ALKYNE ANALOGUES AND THEIR PHARMACEUTICAL USES PPP3R1, CCR7, CHP1 BACE1 3638/4885CTSD 1934/4885CTSE 1669/4885
US-20070232531-A1 Use of cyclosporin alkyne/alkene analogues for preventing or treating viral-induced disorders HAVCR2, MALT1, NFATC1 BACE1 3345/4885CTSD 1452/4885CTSE 1483/4885
US-20160289271-A1 Cyclosporins Modified on the MeBmt Sidechain by Heterocyclic Rings CHP1, UACA, CRYAB BACE1 2823/4885CTSD 1538/4885CTSE 1248/4885
US-20070232532-A1 Use of cyclosporin alkene analogues for preventing or treating viral-induced disorders HAVCR2, MALT1, NFATC1 BACE1 2551/4885CTSD 1290/4885CTSE 1441/4885
US-20160200767-A1 CYCLOSPORIN DERIVATIVES WHEREIN THE MEBMT SIDECHAIN HAS BEEN CYCLIZED CHP1, PPIB, FKBP1B BACE1 1786/4885CTSD 917/4885CTSE 1323/4885

“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.