SCHEMBL5020894

SCHEMBL5020894

CN[C@H](C=O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 19/20 0.44
DNMT1 P26358 1/20 0.42

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
SCHEMBL9926339 1.00 KIF11 (0.44) KIF11DNMT1
SCHEMBL906631 0.77 CTSK (0.48) KIF11
SCHEMBL5276867 0.77 CTSK (0.48) KIF11
SCHEMBL9926338 0.76 KIF11 (0.47) KIF11DNMT1
SCHEMBL7683096 0.75 KIF11 (0.43) KIF11DNMT1
SCHEMBL12944846 0.75 KIF11 (0.56) KIF11DNMT1
SCHEMBL4410619 0.74 KIF11 (0.56) KIF11DNMT1
SCHEMBL20202837 0.74 KIF11 (0.56) KIF11DNMT1
SCHEMBL30408374 0.74 KIF11 (0.56) KIF11DNMT1
SCHEMBL7837119 0.73 CTSK (0.57) KIF11

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-20120115783-A1 PEPTIDOMIMETIC MACROCYCLES Alleron therapeutics, Inc (US) 2012-05-10 US disclosed
US-7960506-B2 Bis-sulfhydryl macrocyclization systems AILERON THERAPEUTICS, INC. (US) 2011-06-14 US disclosed
US-20100216688-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2010-08-26 US disclosed
US-20090088553-A1 Bis-Sulfhydryl Macrocyclization Systems AILERON THERAPEUTICS, INC., A DELAWARE CORPORATION (US) 2009-04-02 US disclosed
US-20090047711-A1 BIS-SULFHYDRYL MACROCYCLIZATION SYSTEMS AILERON THERAPEUTICS, INC. (US) 2009-02-19 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 (4 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-20090088553-A1 Bis-Sulfhydryl Macrocyclization Systems CBS, HLCS, CTH KIF11 3508/4885DNMT1 4260/4885
US-20090047711-A1 BIS-SULFHYDRYL MACROCYCLIZATION SYSTEMS CBS, HLCS, CTH KIF11 3508/4885DNMT1 4260/4885
US-20100216688-A1 PEPTIDOMIMETIC MACROCYCLES CCL2, TAP2, TAP1 KIF11 2655/4885DNMT1 4352/4885
US-20120115783-A1 PEPTIDOMIMETIC MACROCYCLES GLP1R, PROKR1, VIP KIF11 2332/4885DNMT1 4442/4885

“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.