SCHEMBL1709969

SCHEMBL1709969

CCSC[C@H](N)C(=O)OC

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.40
METAP2 P50579 5/20 0.36
METAP1 P53582 4/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
TLR2 O60603 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CTSC P53634 1/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
NOS3 P29474 1/20 0.33
ZDHHC7 Q9NXF8 1/20 0.32
ARG1 P05089 1/20 0.32
ARG2 P78540 1/20 0.32

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
SCHEMBL23129041 1.00 KIF11 (0.40) KIF11METAP2METAP1CA1CA2
SCHEMBL1709954 0.90 KIF11 (0.38) KIF11METAP2METAP1CA1CA2
SCHEMBL10680756 0.83 METAP2 (0.42) METAP2METAP1
SCHEMBL23542532 0.83 METAP2 (0.42) METAP2METAP1
SCHEMBL16847765 0.82 KIF11 (0.39) KIF11TLR2SMN1; SMN2NOS1NOS2
SCHEMBL8198081 0.82 KIF11 (0.39) KIF11METAP2METAP1TLR2SMN1; SMN2
SCHEMBL4195079 0.82 ARG1 (0.47) KIF11NOS1NOS2NOS3ARG1
SCHEMBL14614801 0.82 KIF11 (0.39) KIF11METAP2METAP1TLR2SMN1; SMN2
SCHEMBL929643 0.81 KIF11 (0.37) KIF11SMN1; SMN2ARG1ARG2
SCHEMBL14160472 0.81 KIF11 (0.37) KIF11SMN1; SMN2ARG1ARG2

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 4 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-20150065433-A1 CYCLOSPORIN ANALOGS ALLERGAN, INC. (US) 2015-03-05 US disclosed
US-20120088734-A1 Cyclosporin Analogs ALLERGAN, INC. (US) 2012-04-12 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 (3 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-20150065433-A1 CYCLOSPORIN ANALOGS CHP1, TSLP, PPP3R1 KIF11 4692/4885METAP2 2986/4885METAP1 2496/4885
US-20120088734-A1 Cyclosporin Analogs CHP1, TSLP, PPP3R1 KIF11 4692/4885METAP2 2986/4885METAP1 2496/4885
US-20170029469-A1 CYCLOSPORIN ANALOGS CHP1, TSLP, PPP3R1 KIF11 4692/4885METAP2 2986/4885METAP1 2496/4885

“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.