SCHEMBL6069582

SCHEMBL6069582

CN(Cc1ccccc1)C(=O)[C@H]1O[C@@H]1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ CA12 O43570 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ KMT2A Q03164 3/20 0.49
▸ MEN1 O00255 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ HPGD P15428 4/20 0.46
▸ RIPK1 Q13546 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ TSHR P16473 1/20 0.45

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
SCHEMBL6069937 0.83 MEN1 (0.50) KMT2AMEN1SMN1; SMN2ALDH1A1TSHR
SCHEMBL11172692 0.83 TSHR (0.54) NPC1RAB9ACA12CA9KMT2A
SCHEMBL17667166 0.79 ALDH1A1 (0.55) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL17667165 0.79 ALDH1A1 (0.55) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL5790489 0.75 POLB (0.69) NPC1RAB9ACA12CA9KMT2A
SCHEMBL180384 0.74 NPC1 (0.73) NPC1RAB9ACA12CA9KMT2A
SCHEMBL6070102 0.73 ALOX5 (0.50) NPC1RAB9AKMT2AMEN1
SCHEMBL6070017 0.73 ALOX5 (0.50) NPC1RAB9AKMT2AMEN1
SCHEMBL3095761 0.73 NPC1 (0.70) NPC1RAB9ACA12CA9KMT2A
Hydrochloric Acid SCHEMBL11786759 0.73 NPC1 (0.70) NPC1RAB9ACA12CA9KMT2A

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 NPC1 722/4885RAB9A 1416/4885CA12 729/4885

“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.

Send feedback