SCHEMBL13035034

SCHEMBL13035034

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nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 1/20 0.47
▸ AGTR2 P50052 5/20 0.45
▸ AGTR1 P30556 4/20 0.45
▸ CALCRL Q16602 2/20 0.45
▸ NTSR2 O95665 8/20 0.42
▸ NTSR1 P30989 8/20 0.42
▸ SORT1 Q99523 6/20 0.42
▸ F2 P00734 1/20 0.42
▸ CTSD P07339 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ REN P00797 1/20 0.41

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
Davunetide SCHEMBL239737 0.96 XIAP (0.48) XIAPAGTR2AGTR1CALCRLNTSR2
Davunetide SCHEMBL3689039 0.96 XIAP (0.48) XIAPAGTR2AGTR1CALCRLNTSR2
Davunetide SCHEMBL239736 0.96 XIAP (0.48) XIAPAGTR2AGTR1CALCRLNTSR2
Davunetide SCHEMBL19712227 0.96 XIAP (0.48) XIAPAGTR2AGTR1CALCRLNTSR2
SCHEMBL30777830 0.90 XIAP (0.48) XIAPAGTR2AGTR1CALCRLNTSR2
SCHEMBL30056720 0.88 CALCRL (0.42) XIAPAGTR2AGTR1CALCRLNTSR2
Hydrochloric Acid SCHEMBL30504557 0.88 CALCRL (0.42) XIAPAGTR2AGTR1CALCRLNTSR2
SCHEMBL14693963 0.86 XIAP (0.53) XIAPAGTR2AGTR1NTSR2NTSR1
SCHEMBL14693960 0.86 XIAP (0.53) XIAPAGTR2AGTR1NTSR2NTSR1
SCHEMBL29590984 0.84 NTSR2 (0.49) NTSR2NTSR1SORT1REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100292231-A1 Indazole Compounds for Treating Inflammatory Disorders, Demyelinating Disorders and Cancers AJAMI ALFRED M 2010-11-18 — — US disclosed
US-20080108641-A1 Compounds for treating inflammatory disorders, demyelinating disdorders and cancers XANTHUS PHARMACEUTICALS, INC. 2008-05-08 — — 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 (2 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-20080108641-A1 Compounds for treating inflammatory disorders, demyelinating disdorders and cancers PMP22, PML, AQP4 XIAP 696/4885AGTR2 2365/4885AGTR1 1821/4885
US-20100292231-A1 Indazole Compounds for Treating Inflammatory Disorders, Demyelinating Disorders and Cancers FLT3, CSF3R, CSF1R XIAP 3006/4885AGTR2 3536/4885AGTR1 2763/4885

“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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