SCHEMBL4042693

SCHEMBL4042693

CC(C)CC(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)CN(C)C

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.74
CTSS P25774 3/20 0.55
CCR1 P32246 1/20 0.40
TSHR P16473 1/20 0.39
POLB P06746 1/20 0.37
CBX4 O00257 1/20 0.37
CBX6 O95503 1/20 0.37
CBX7 O95931 1/20 0.37
CBX2 Q14781 1/20 0.37
CDYL2 Q8N8U2 1/20 0.37
CBX8 Q9HC52 1/20 0.37
CTSV O60911 2/20 0.36
CTSL P07711 2/20 0.36
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36

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
SCHEMBL4043760 0.93 CTSK (0.71) CTSKCTSSCCR1TSHRCBX4
SCHEMBL4039251 0.90 CTSK (0.64) CTSKCTSSCCR1POLBCTSV
SCHEMBL4047221 0.90 CTSK (0.77) CTSKCTSSCCR1POLBCTSV
SCHEMBL5941683 0.90 CTSK (0.77) CTSKCTSSCCR1POLBCTSV
SCHEMBL5941685 0.90 CTSK (0.77) CTSKCTSSCCR1POLBCTSV
SCHEMBL4044187 0.89 CTSK (0.62) CTSKCTSSCCR1CTSVCTSL
SCHEMBL5941348 0.89 CTSK (0.75) CTSKCTSSCCR1CTSVCTSL
SCHEMBL13909147 0.89 CTSK (0.75) CTSKCTSSCCR1CTSVCTSL
SCHEMBL4041864 0.89 CTSK (0.75) CTSKCTSSCCR1CTSVCTSL
SCHEMBL4217658 0.89 CTSK (0.75) CTSKCTSSCCR1CTSVCTSL

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
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed
EP-2056799-A2 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING GLAUCOMA OR PROGRESSION THEREOF Bausch & Lomb Incorporated (US) 2009-05-13 EP disclosed
EP-2051710-A2 COMPOSITIONS AND METHODS FOR TREATING, REDUCING, AMELIORATING, OR ALLEVIATING POSTERIOR-SEGMENT OPHTHALMIC DISEASES Bausch & Lomb Incorporated (US) 2009-04-29 EP disclosed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
WO-2008027796-A2 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING GLAUCOMA OR PROGRESSION THEREOF BAUSCH & LOMB INCORPORATED (US) 2008-03-06 WO disclosed
WO-2008021729-A2 COMPOSITIONS AND METHODS FOR TREATING, REDUCING, AMELIORATING, OR ALLEVIATING POSTERIOR-SEGMENT OPHTHALMIC DISEASES BAUSCH & LOMB INCORPORATED (US) 2008-02-21 WO disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US disclosed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS CTSK 2/4885CTSS 3/4885CCR1 100/4885

“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.