SCHEMBL4045971

SCHEMBL4045971

CCCC(NC(=O)c1ccc(C)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.43
HSD17B10 Q99714 1/20 0.40
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
CCR1 P32246 2/20 0.37
GAA P10253 2/20 0.36
PREP P48147 1/20 0.36
FAP Q12884 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
TSHR P16473 1/20 0.36
GFER P55789 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMYD3 Q9H7B4 1/20 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
SCHEMBL4044361 0.92 CTSK (0.44) CTSKHSD17B10CTSLCTSSCCR1
SCHEMBL4040210 0.92 CTSK (0.53) CTSKHSD17B10CTSLCTSSCCR1
SCHEMBL4041799 0.92 CTSK (0.45) CTSKHSD17B10CTSLCTSSCCR1
SCHEMBL4041298 0.92 CTSK (0.54) CTSKHSD17B10CTSLCTSSCCR1
SCHEMBL4042400 0.92 LMNA (0.43) CTSKHSD17B10POLBKMT2ALMNA
SCHEMBL4041749 0.92 CTSK (0.53) CTSKHSD17B10CTSLCTSSCCR1
SCHEMBL4042197 0.91 CTSK (0.42) CTSKHSD17B10CTSLCTSSCCR1
SCHEMBL4040503 0.90 CTSK (0.44) CTSKHSD17B10CTSLCTSSCCR1
SCHEMBL4044478 0.90 CTSK (0.42) CTSKHSD17B10CTSLCTSSSMN1; SMN2
SCHEMBL4038738 0.90 CTSK (0.48) CTSKCTSLCTSS

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 6 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-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP 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 2/4885HSD17B10 1043/4885CTSL 57/4885

“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.