SCHEMBL4223754

SCHEMBL4223754

[NH][C@H](CC(=O)O)Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 3/20 0.62
CPA1 P15085 2/20 0.62
CPB1 P15086 1/20 0.62
CPB2 Q96IY4 1/20 0.62
CYP1A2 P05177 1/20 0.54
MIF P14174 1/20 0.51
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
PTGS1 P23219 1/20 0.50
XIAP P98170 1/20 0.50
SLC7A5 Q01650 1/20 0.50
KEAP1 Q14145 1/20 0.50
MDM2 Q00987 1/20 0.48
AKR1B1 P15121 1/20 0.48
LTA4H P09960 2/20 0.47
SLC15A1 P46059 1/20 0.47
PAM P19021 1/20 0.47
FOLH1 Q04609 1/20 0.47
FFAR1 O14842 1/20 0.47
MMP2 P08253 1/20 0.46

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
SCHEMBL4223751 1.00 CPA3 (0.62) CPA3CPA1CPB1CPB2CYP1A2
SCHEMBL4469506 0.81 EPHX1 (0.55) CPA3CPA1CPB1CPB2CYP1A2
SCHEMBL5081348 0.80 CPA3 (0.64) CPA3CPA1CPB1CPB2CYP1A2
SCHEMBL5081346 0.80 CPA3 (0.64) CPA3CPA1CPB1CPB2CYP1A2
SCHEMBL6176552 0.80 CPA3 (0.64) CPA3CPA1CPB1CPB2CYP1A2
SCHEMBL11460484 0.80 CPA3 (0.64) CPA3CPA1CPB1CPB2CYP1A2
SCHEMBL10535065 0.78 TRPA1 (0.65) CPA3CPA1CPB1CPB2CYP1A2
SCHEMBL6138407 0.78 TRPA1 (0.65) CPA3CPA1CPB1CPB2CYP1A2
SCHEMBL4315598 0.78 CPA1 (0.62) CPA3CPA1CPB1CPB2CYP1A2
SCHEMBL1861755 0.78 TRPA1 (0.65) CPA3CPA1CPB1CPB2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856083-A4 CHROMEN-4-ONE INHIBITORS OF ANTI-APOPTOTIC BCL-2 FAMILY MEMBERS AND THE USES THEREOF UNIV MICHIGAN (US) 2009-05-27 EP disclosed
EP-1856083-A2 CHROMEN-4-ONE INHIBITORS OF ANTI-APOPTOTIC BCL-2 FAMILY MEMBERS AND THE USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-11-21 EP disclosed
US-20060247305-A1 Chromen-4-one inhibitors of anti-apoptotic Bcl-2 family members and the uses thereof REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2006-11-02 US disclosed
WO-2006099193-A2 CHROMEN-4-ONE INHIBITORS OF ANTI-APOPTOTIC BCL-2 FAMILY MEMBERS AND THE USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2006-09-21 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-20060247305-A1 Chromen-4-one inhibitors of anti-apoptotic Bcl-2 family members and the uses thereof BCL2, BAD, BAX CPA3 4313/4885CPA1 3468/4885CPB1 852/4885

“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.