SCHEMBL2171694

SCHEMBL2171694

O=C(NCc1ccccc1)NCC1(C(=O)O)CC1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
P2RX7 Q99572 1/20 0.56
EPHX2 P34913 3/20 0.54
TP53 P04637 1/20 0.51
LMNA P02545 1/20 0.51
PTPN1 P18031 1/20 0.51
HPGD P15428 1/20 0.50
PPID Q08752 1/20 0.49
MAPK1 P28482 1/20 0.49
CFD P00746 1/20 0.47
GAA P10253 1/20 0.47
GSK3B P49841 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL714625 0.83 EPHX1 (0.77) EPHX1SMN1; SMN2P2RX7EPHX2TP53
SCHEMBL2549857 0.81 PPID (0.62) EPHX1SMN1; SMN2P2RX7LMNAPTPN1
SCHEMBL8640906 0.77 LMNA (0.59) SMN1; SMN2P2RX7EPHX2TP53LMNA
SCHEMBL6033584 0.75 TP53 (0.75) EPHX1SMN1; SMN2EPHX2TP53LMNA
SCHEMBL26406641 0.74 EPHX1 (0.65) EPHX1SMN1; SMN2P2RX7EPHX2TP53
SCHEMBL6435482 0.74 EPHX2 (0.83) EPHX1SMN1; SMN2P2RX7EPHX2TP53
SCHEMBL970225 0.74 SMN1; SMN2 (0.70) EPHX1SMN1; SMN2P2RX7EPHX2TP53
SCHEMBL7393991 0.74 EPHX1 (0.65) EPHX1SMN1; SMN2P2RX7EPHX2TP53
SCHEMBL1416043 0.74 EPHX1 (0.65) EPHX1SMN1; SMN2P2RX7EPHX2TP53
SCHEMBL372024 0.74 MMP8 (0.60) EPHX1SMN1; SMN2EPHX2TP53LMNA

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 7 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
EP-2346871-A1 ALPHA HELIX MIMETICS IN THE TREATMENT OF CANCER PRISM BioLab Corporation (JP) 2011-07-27 EP disclosed
WO-2010044485-A1 ALPHA HELIX MIMETICS IN THE TREATMENT OF CANCER PRISM BIOLAB CORPORATION (JP) 2010-04-22 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 (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 EPHX1 534/4885SMN1; SMN2 1336/4885P2RX7 2595/4885
US-20150376204-A1 ALPHA HELIX MIMETIC COMPOSITIONS FOR TREATING CANCER AND OTHER CBP/CATENIN-MEDIATED DISEASES AND CONDITIONS CREBBP, CTNNB1, CTNNA1 EPHX1 1652/4885SMN1; SMN2 2633/4885P2RX7 2461/4885
US-20140221657-A1 ALPHA HELIX MIMETIC COMPOSITIONS FOR TREATING CANCER AND OTHER CBP/CATENIN-MEDIATED DISEASES AND CONDITIONS CREBBP, CTNNB1, CTNNA1 EPHX1 1652/4885SMN1; SMN2 2633/4885P2RX7 2461/4885

“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.