SCHEMBL12757271

SCHEMBL12757271

Cc1ccccc1NC(=O)c1cccc(CCC2=C(O)C(=O)C=C(O)C2=O)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 5/20 0.59
▸ ALDH1A1 P00352 2/20 0.48
▸ POLB P06746 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ ABCB1 P08183 1/20 0.43
▸ MEN1 O00255 5/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ MAPT P10636 1/20 0.42

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
SCHEMBL12757268 0.84 XIAP (0.63) XIAPALDH1A1NPC1RAB9AMEN1
SCHEMBL12757270 0.83 XIAP (0.68) XIAPALDH1A1POLBNPC1RAB9A
SCHEMBL12757269 0.79 XIAP (0.61) XIAPALDH1A1POLBGAAMEN1
SCHEMBL12757272 0.78 XIAP (0.55) XIAPALDH1A1POLBHPGDCYP1A2
SCHEMBL1696350 0.77 POLB (0.60) ALDH1A1POLBHPGDGAACYP1A2
SCHEMBL12757282 0.75 XIAP (1.00) XIAPALDH1A1HPGDCYP2C9CYP2C19
SCHEMBL12757265 0.75 XIAP (1.00) XIAPALDH1A1HPGDCYP2C9CYP2C19
SCHEMBL15676741 0.74 POLB (0.64) ALDH1A1POLBHPGDGAACYP1A2
SCHEMBL12757274 0.72 XIAP (1.00) XIAPALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL1690488 0.71 GAA (0.60) ALDH1A1POLBHPGDGAACYP1A2

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
US-7910621-B2 Small molecule antagonists of XIAP family proteins THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-03-22 — — US disclosed
US-7910621-B2 Small molecule antagonists of XIAP family proteins THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-03-22 — — US disclosed
US-20080021095-A1 Small Molecule Antagonists of Xiap Family Proteins THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2008-01-24 — — US disclosed
US-20080021095-A1 Small Molecule Antagonists of Xiap Family Proteins THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2008-01-24 — — 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 (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-20080021095-A1 Small Molecule Antagonists of Xiap Family Proteins XIAP, BIRC5, BIRC3 XIAP 1/4885ALDH1A1 2921/4885POLB 3285/4885

“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.

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