SCHEMBL7541299

SCHEMBL7541299

N=C(N)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
HPGD P15428 1/20 0.56
HTT P42858 1/20 0.56
KMT2A Q03164 1/20 0.56
SIRT1 Q96EB6 9/20 0.46
SIRT5 Q9NXA8 6/20 0.46
SIRT2 Q8IXJ6 10/20 0.45
PTGER4 P35408 1/20 0.44
SIRT3 Q9NTG7 3/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL7740151 0.97 KDM4E (0.59) KDM4EMEN1ALDH1A1LMNAHPGD
SCHEMBL7934318 0.95 ALDH1A1 (0.51) KDM4EMEN1ALDH1A1LMNAHPGD
SCHEMBL11165484 0.92 ALDH1A1 (0.50) KDM4EMEN1ALDH1A1LMNAHPGD
SCHEMBL11168545 0.91 MEN1 (0.47) KDM4EMEN1ALDH1A1LMNAHPGD
SCHEMBL8550832 0.91 MEN1 (0.46) KDM4EMEN1ALDH1A1LMNAHPGD
SCHEMBL4076285 0.90 SIRT2 (0.49) SIRT1SIRT5SIRT2SIRT3
SCHEMBL4727432 0.90 SIRT2 (0.49) SIRT1SIRT5SIRT2SIRT3
SCHEMBL29357392 0.90 SIRT2 (0.49) SIRT1SIRT5SIRT2SIRT3
SCHEMBL29404479 0.88 KDM4E (0.56) KDM4EMEN1ALDH1A1LMNAHPGD
SCHEMBL10727549 0.88 SIRT2 (0.50) KDM4EALDH1A1HPGDSIRT1SIRT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020128434-A1 Alpha-(1,3-dicarbonylenol ether) methyl ketones as cysteine protease inhibitors ZIMMERMAN MARY P (US) 2002-09-12 US disclosed
US-20020065264-A1 Cysteine protease inhibitors containing heterocyclic leaving groups ZIMMERMAN MARY P (US) 2002-05-30 US disclosed
US-6297277-B1 PEPTIDYL KETONES HAVING HETEROCYCLIC LEAVING GROUPS; CATHEPSIN INHIBITORS PROTOTEK, INC. 2001-10-02 US disclosed
US-6147188-A IRREVERSIBLE CATHEPSIN OR CALPAIN INHIBITORS PROTOTEK, INC. (US) 2000-11-14 US disclosed
US-5925772-A ENZYME INHIBITORS FOR ANTIARTHRITIC AGENTS FROM HETEROCYCLIC PEPTIDES PROTOTEK, INC. (US) 1999-07-20 US disclosed
EP-0731696-A4 CYSTEINE PROTEASE INHIBITORS CONTAINING HETEROCYCLIC LEAVING GROUPS PROTOTEK INC (US) 1999-04-21 EP disclosed
US-5714484-A α-(1,3-dicarbonylenol ether) methyl ketones as cysteine protease inhibitors PROTOTEK, INC. (US) 1998-02-03 US disclosed
US-5663380-A ANTIARTHRITIC AGENTS; TREATMENT OF RHEUMATOID ARTHRITIS PROTOTEK, INC. (US) 1997-09-02 US disclosed
WO-1996040647-A1 α-(1,3-DICARBONYLENOL ETHER) METHYL KETONES AS CYSTEINE PROTEASE INHIBITORS PROTOTEK, INC. (US) 1996-12-19 WO disclosed
EP-0731696-A1 CYSTEINE PROTEASE INHIBITORS CONTAINING HETEROCYCLIC LEAVING GROUPS PROTOTEK, INC. (US) 1996-09-18 EP disclosed
US-5486623-A Cysteine protease inhibitors containing heterocyclic leaving groups PROTOTEK, INC. (US) 1996-01-23 US disclosed
WO-1995015749-A1 CYSTEINE PROTEASE INHIBITORS CONTAINING HETEROCYCLIC LEAVING GROUPS PROTOTEK, INC. (US) 1995-06-15 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 (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-20020128434-A1 Alpha-(1,3-dicarbonylenol ether) methyl ketones as cysteine protease inhibitors CPN1, CTRL, SERPINB1 KDM4E 1308/4885MEN1 2826/4885ALDH1A1 1415/4885
US-20020065264-A1 Cysteine protease inhibitors containing heterocyclic leaving groups HPN, PREP, SPINT2 KDM4E 3850/4885MEN1 3776/4885ALDH1A1 1740/4885

“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.