SCHEMBL16452817

SCHEMBL16452817

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.69
▸ TDP1 Q9NUW8 5/20 0.67
▸ MEN1 O00255 1/20 0.55
▸ ABL1 P00519 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ IDE P14735 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ RIN1 Q13671 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ CA12 O43570 1/20 0.54
▸ CA1 P00915 1/20 0.54
▸ CA2 P00918 1/20 0.54
▸ CA9 Q16790 1/20 0.54
▸ FOLH1 Q04609 2/20 0.53
▸ CNR1 P21554 2/20 0.53
▸ HSP90AB1 P08238 1/20 0.53
▸ PLCD1 P51178 1/20 0.53
▸ ITGB1 P05556 1/20 0.53

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
SCHEMBL21140191 0.89 TDP1 (0.70) CAPN1TDP1MEN1ABL1LMNA
SCHEMBL24067575 0.89 TDP1 (0.76) CAPN1TDP1MEN1ABL1LMNA
SCHEMBL21982487 0.89 CAPN1 (0.65) CAPN1TDP1MEN1ABL1LMNA
SCHEMBL21140233 0.88 TDP1 (0.69) CAPN1TDP1MEN1ABL1LMNA
SCHEMBL14570855 0.88 TDP1 (0.74) CAPN1TDP1MEN1ABL1LMNA
SCHEMBL14523052 0.87 TDP1 (0.70) CAPN1TDP1MEN1ABL1LMNA
SCHEMBL13609688 0.87 TDP1 (0.73) CAPN1TDP1MEN1ABL1LMNA
SCHEMBL18779801 0.86 TDP1 (0.78) CAPN1TDP1MEN1ABL1LMNA
SCHEMBL19543512 0.86 TDP1 (0.71) CAPN1TDP1MEN1ABL1LMNA
SCHEMBL20369791 0.86 TDP1 (0.71) CAPN1TDP1MEN1ABL1LMNA

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
EP-2811999-B1 NOVEL CYSTEINE PROTEASE INHIBITORS AND USES THEREOF UNIV COLUMBIA (US) 2021-10-27 — — EP disclosed
US-20170008884-A1 NOVEL CYSTEINE PROTEASE INHIBITORS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2017-01-12 — — US disclosed
US-9403843-B2 Cysteine protease inhibitors and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-08-02 — — US disclosed
US-20150045393-A1 Novel Cysteine Protease Inhibitors and Uses Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-02-12 — — 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 (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-20170008884-A1 NOVEL CYSTEINE PROTEASE INHIBITORS AND USES THEREOF CAPNS1, CAPN9, CAPN1 CAPN1 3/4885TDP1 1433/4885MEN1 4738/4885
US-20150045393-A1 Novel Cysteine Protease Inhibitors and Uses Thereof CAPNS1, CAPN9, CAPN1 CAPN1 3/4885TDP1 1433/4885MEN1 4738/4885

“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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