SCHEMBL6070481

SCHEMBL6070481

O=C(O)[C@@H]1O[C@H]1C(=O)NCCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 8/20 0.56
POLB P06746 2/20 0.56
GAA P10253 1/20 0.56
NPSR1 Q6W5P4 1/20 0.54
CA12 O43570 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MC4R P32245 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
EPHX1 P07099 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HPGD P15428 1/20 0.50
MMP1 P03956 2/20 0.49
MMP2 P08253 2/20 0.49
MMP9 P14780 1/20 0.49

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
SCHEMBL7763461 1.00 TAAR1 (0.56) TAAR1POLBGAANPSR1CA12
SCHEMBL7763466 1.00 TAAR1 (0.56) TAAR1POLBGAANPSR1CA12
SCHEMBL6070037 0.83 ALDH1A1 (0.54) GAANPSR1ALDH1A1MC4RMEN1
SCHEMBL11167965 0.83 ALDH1A1 (0.54) GAANPSR1ALDH1A1MC4RMEN1
SCHEMBL6069261 0.83 ALDH1A1 (0.54) GAANPSR1ALDH1A1MC4RMEN1
SCHEMBL11166155 0.82 ALDH1A1 (0.53) GAANPSR1ALDH1A1MC4RMEN1
SCHEMBL7762744 0.82 CTSL (0.56) TAAR1POLBGAAALDH1A1MC4R
SCHEMBL7762722 0.81 KMT2A (0.54) KMT2AL3MBTL1MMP2
SCHEMBL7762733 0.81 KMT2A (0.54) KMT2AL3MBTL1MMP2
SCHEMBL8343183 0.81 KMT2A (0.54) KMT2AL3MBTL1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7056947-B2 For inhibiting (cysteine) proteases/caspases; for treatment of viral infections, stroke, neurodegenerative disease, and inflammatory diseases GEORGIA TECH RESEARCH CORP. (US) 2006-06-06 US disclosed
US-20040048327-A1 Aza-peptide epoxides NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-03-11 US disclosed
WO-2004005270-A1 AZA-PEPTIDE EPOXIDES GEORGIA TECH RESEARCH CORPORATION (US) 2004-01-15 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-20040048327-A1 Aza-peptide epoxides ANPEP, ENPEP, TMPRSS15 TAAR1 4254/4885POLB 2101/4885GAA 121/4885

“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.