SCHEMBL2544632

SCHEMBL2544632

O=CC(Cc1cccc2ccccc12)NC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.52
CAPN1 P07384 3/20 0.51
TDP1 Q9NUW8 1/20 0.49
HRH4 Q9H3N8 1/20 0.47
CASP1 P29466 2/20 0.47
MME P08473 2/20 0.46
ACE P12821 2/20 0.46
CPA1 P15085 1/20 0.46
ACE2 Q9BYF1 1/20 0.46
CTSL P07711 1/20 0.45
MMP9 P14780 2/20 0.45
MMP8 P22894 1/20 0.44
MMP14 P50281 1/20 0.44
KMT2A Q03164 1/20 0.44
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
TACR1 P25103 1/20 0.44

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
SCHEMBL2269291 0.87 TACR1 (0.51) CTNNB1CAPN1TDP1HRH4CASP1
SCHEMBL2270111 0.87 TACR1 (0.51) CTNNB1CAPN1TDP1HRH4CASP1
SCHEMBL9852737 0.86 CASP1 (0.48) CTNNB1CAPN1TDP1HRH4CASP1
SCHEMBL10477668 0.82 CASP1 (0.54) CAPN1HRH4CASP1TACR1
SCHEMBL9631575 0.80 CTNNB1 (0.45) CTNNB1TDP1CASP1MMP9KMT2A
SCHEMBL25660784 0.80 CTNNB1 (0.45) CTNNB1TDP1CASP1MMP9KMT2A
SCHEMBL9727662 0.80 CTNNB1 (0.45) CTNNB1TDP1CASP1MMP9KMT2A
SCHEMBL10959088 0.78 CTNNB1 (0.54) CTNNB1TDP1HRH4MMEACE
SCHEMBL10720602 0.77 CASP3 (0.60) CASP1CTSL
SCHEMBL26647399 0.76 CTSL (0.74) ACECTSLKMT2A

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-9682996-B2 Alpha helix mimetic compositions for treating cancer and other CBP/catenin-mediated diseases and conditions Prism BioLab Co., Ltd. (JP) 2017-06-20 US disclosed
US-20150376204-A1 ALPHA HELIX MIMETIC COMPOSITIONS FOR TREATING CANCER AND OTHER CBP/CATENIN-MEDIATED DISEASES AND CONDITIONS Prism BioLab Co., Ltd. (JP) 2015-12-31 US disclosed
US-9126981-B2 Alpha helix mimetic compositions for treating cancer and other CBP/catenin-mediated diseases and conditions Prism BioLab Co., Ltd. (JP) 2015-09-08 US disclosed
US-20140221657-A1 ALPHA HELIX MIMETIC COMPOSITIONS FOR TREATING CANCER AND OTHER CBP/CATENIN-MEDIATED DISEASES AND CONDITIONS PRISM BIOLAB CORPORATION (JP) 2014-08-07 US disclosed
US-20110263607-A1 ALPHA HELIX MIMETICS IN THE TREATMENT OF CANCER PRISM BIOLAB CORPORATION (JP) 2011-10-27 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-20110263607-A1 ALPHA HELIX MIMETICS IN THE TREATMENT OF CANCER COL1A1, HDGF, HCCS CTNNB1 206/4885CAPN1 3980/4885TDP1 2015/4885
US-20150376204-A1 ALPHA HELIX MIMETIC COMPOSITIONS FOR TREATING CANCER AND OTHER CBP/CATENIN-MEDIATED DISEASES AND CONDITIONS CREBBP, CTNNB1, CTNNA1 CTNNB1 2/4885CAPN1 1282/4885TDP1 2866/4885
US-20140221657-A1 ALPHA HELIX MIMETIC COMPOSITIONS FOR TREATING CANCER AND OTHER CBP/CATENIN-MEDIATED DISEASES AND CONDITIONS CREBBP, CTNNB1, CTNNA1 CTNNB1 2/4885CAPN1 1282/4885TDP1 2866/4885

“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.