SCHEMBL13028973

SCHEMBL13028973

O=C1[C@H](Cc2ccc(O)cc2)N2C(=O)CN(Cc3ccccc3)N(C(=O)NCc3ccccc3)[C@H]2CN1Cc1cccc2ccccc12

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 2/20 0.75
TCF7 P36402 2/20 0.75
CLPP Q16740 2/20 0.75
BCL9 O00512 1/20 0.75
TCF4 P15884 1/20 0.75
CREBBP Q92793 1/20 0.75
CYP3A4 P08684 17/20 0.66

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
SCHEMBL12222035 0.93 CYP3A4 (0.74) CTNNB1TCF7CLPPBCL9TCF4
SCHEMBL763057 0.93 CTNNB1 (0.69) CTNNB1TCF7CLPPBCL9TCF4
SCHEMBL750985 0.92 CTNNB1 (0.74) CTNNB1TCF7CLPPBCL9TCF4
SCHEMBL747784 0.92 CTNNB1 (0.74) CTNNB1TCF7CLPPBCL9TCF4
SCHEMBL12037197 0.91 CLPP (0.71) CTNNB1TCF7CLPPBCL9TCF4
SCHEMBL14620318 0.91 CLPP (0.70) CTNNB1TCF7CLPPBCL9TCF4
SCHEMBL746577 0.88 CLPP (0.67) CTNNB1TCF7CLPPBCL9TCF4
SCHEMBL23913420 0.88 CTNNB1 (0.63) CTNNB1TCF7CLPPBCL9TCF4
SCHEMBL10224729 0.87 CLPP (0.72) CTNNB1TCF7CLPPBCL9TCF4
SCHEMBL749351 0.87 CLPP (0.69) CTNNB1TCF7CLPPBCL9TCF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8080657-B2 Compounds of reverse turn mimetics and the use thereof CHOONGWAE PHARMA CORPORATION (KR) 2011-12-20 US disclosed
US-8080657-B2 Compounds of reverse turn mimetics and the use thereof CHOONGWAE PHARMA CORPORATION (KR) 2011-12-20 US disclosed
US-20100286094-A1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF CHOONGWAE PHARMA CORPORATION (KR) 2010-11-11 US disclosed
US-20100286094-A1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF CHOONGWAE PHARMA CORPORATION (KR) 2010-11-11 US disclosed
WO-2009051397-A9 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (3) CHOONGWAE PHARMA CORPORATION (KR) 2010-05-27 WO disclosed
WO-2009051397-A2 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (3) CHOONGWAE PHARMA CORPORATION (KR) 2009-04-23 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 (1 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-20100286094-A1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF MCL1, MYADM, FLT3 CTNNB1 4355/4885TCF7 2392/4885CLPP 1573/4885

“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.