SCHEMBL12127262

SCHEMBL12127262

COc1ccc(C(SC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)OC(C)(C)C)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.51
MDM4 O15151 2/20 0.51
TP53 P04637 2/20 0.51
MDM2 Q00987 3/20 0.48
BACE1 P56817 1/20 0.42
CASP3 P42574 1/20 0.41

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
SCHEMBL5972648 0.94 MDM4 (0.54) MDM4TP53MDM2BACE1CASP3
SCHEMBL30538853 0.94 MDM4 (0.54) MDM4TP53MDM2BACE1CASP3
SCHEMBL29460482 0.92 MDM2 (0.54) KIF11MDM4TP53MDM2CASP3
SCHEMBL21639223 0.92 MDM2 (0.54) KIF11MDM4TP53MDM2CASP3
SCHEMBL29400885 0.92 MDM2 (0.54) KIF11MDM4TP53MDM2CASP3
SCHEMBL6273699 0.92 MDM2 (0.54) KIF11MDM4TP53MDM2CASP3
SCHEMBL12744189 0.87 MDM4 (0.52) KIF11MDM4TP53MDM2CASP3
SCHEMBL3212833 0.87 MDM4 (0.52) KIF11MDM4TP53MDM2CASP3
SCHEMBL18308624 0.86 KIF11 (0.41) KIF11MDM4TP53MDM2BACE1
SCHEMBL30474408 0.85 MDM4 (0.46) MDM4TP53MDM2BACE1CASP3

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
US-8586570-B2 Sox-based kinase sensor MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-11-19 US disclosed
US-20110281290-A1 SOX-BASED KINASE SENSOR MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-11-17 US disclosed
US-20110281290-A1 SOX-BASED KINASE SENSOR MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-11-17 US disclosed
US-7964729-B2 Sox-based kinase sensor MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-06-21 US disclosed
US-7964729-B2 Sox-based kinase sensor MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-06-21 US disclosed
WO-2008082715-A2 SOX-BASED KINASE SENSOR MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-07-10 WO disclosed
US-20080050761-A1 Sox-based kinase sensor MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2008-02-28 US disclosed
US-20080050761-A1 Sox-based kinase sensor MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2008-02-28 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 (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-20080050761-A1 Sox-based kinase sensor SOX18, HIPK1, HIPK3 KIF11 3044/4885MDM4 1262/4885TP53 1093/4885
US-20110281290-A1 SOX-BASED KINASE SENSOR SOX18, HIPK1, HIPK3 KIF11 3044/4885MDM4 1262/4885TP53 1093/4885

“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.