SCHEMBL21982487

SCHEMBL21982487

CC(C)C[C@@H](C(=O)NCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.65
▸ TDP1 Q9NUW8 5/20 0.62
▸ CA12 O43570 1/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ ABL1 P00519 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ IDE P14735 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ RIN1 Q13671 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ FOLH1 Q04609 2/20 0.51
▸ CNR1 P21554 2/20 0.51
▸ PLCD1 P51178 1/20 0.50
▸ ITGB1 P05556 1/20 0.50
▸ ITGA4 P13612 1/20 0.50

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
SCHEMBL16452817 0.89 CAPN1 (0.69) CAPN1TDP1CA12CA1CA2
SCHEMBL22921014 0.86 TDP1 (0.74) CAPN1TDP1CA12CA1CA2
SCHEMBL21140191 0.86 TDP1 (0.70) CAPN1TDP1CA12CA1CA2
SCHEMBL24067575 0.85 TDP1 (0.76) CAPN1TDP1CA12CA1CA2
SCHEMBL6195019 0.85 TDP1 (0.70) CAPN1TDP1CA12CA1CA2
SCHEMBL24443427 0.85 TDP1 (0.73) CAPN1TDP1CA12CA1CA2
SCHEMBL21140233 0.85 TDP1 (0.69) CAPN1TDP1CA12CA1CA2
SCHEMBL14570855 0.85 TDP1 (0.74) CAPN1TDP1CA12CA1CA2
SCHEMBL14523052 0.84 TDP1 (0.70) CAPN1TDP1CA12CA1CA2
SCHEMBL13609688 0.83 TDP1 (0.73) CAPN1TDP1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10647709-B2 Cysteine protease inhibitors and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-05-12 — — 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-10647709-B2 Cysteine protease inhibitors and uses thereof CAPNS1, CAPN9, CAPN1 CAPN1 3/4885TDP1 1365/4885CA12 759/4885

“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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