SCHEMBL4038694

SCHEMBL4038694

CCCC(NC(=O)c1ccc(OC(F)F)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1cccnc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.39
GPR132 Q9UNW8 4/20 0.38
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
SMYD3 Q9H7B4 2/20 0.35
ACE P12821 2/20 0.35
TSHR P16473 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
MC4R P32245 1/20 0.34
MC3R P41968 1/20 0.34
MC1R Q01726 1/20 0.34
LMNA P02545 1/20 0.34
CXCR3 P49682 1/20 0.34

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
SCHEMBL4037353 0.93 CTSK (0.48) CTSKGPR132POLBHPGDSMYD3
SCHEMBL4042695 0.92 CHRNB2 (0.41) CTSKGPR132TSHRCHRNB2CHRNA7
SCHEMBL4040275 0.91 CTSK (0.40) CTSKGPR132SMYD3ACELMNA
SCHEMBL4039411 0.91 CTSK (0.43) CTSKGPR132ACE
SCHEMBL4040649 0.90 CTSK (0.42) CTSKGPR132SMYD3ACETSHR
SCHEMBL4038224 0.90 CTSK (0.44) CTSKGPR132SMYD3ACE
SCHEMBL4043930 0.90 CTSK (0.41) CTSKGPR132TSHRLMNA
SCHEMBL4041827 0.89 CTSK (0.43) CTSKGPR132POLBSMYD3ACE
SCHEMBL4045831 0.89 CTSK (0.51) CTSKGPR132HPGDSMYD3ACE
SCHEMBL4040150 0.88 CTSK (0.41) CTSKGPR132ACEMC4RMC3R

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 10 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
US-7547501-B2 Photoactive compounds AZ ELECTRONIC MATERIALS USA CORP. (US) 2009-06-16 US disclosed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-20080085463-A1 PHOTOACTIVE COMPOUNDS AZ ELECTRONICS MATERIALS USA CORP. 2008-04-10 US 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 2/4885GPR132 844/4885POLB 3780/4885

“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.