SCHEMBL4041298

SCHEMBL4041298

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.54
HSD17B10 Q99714 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
GFER P55789 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37
CCR1 P32246 2/20 0.35
PREP P48147 2/20 0.35
FAP Q12884 2/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
LMNA P02545 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34
MAPT P10636 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
SCHEMBL4037827 0.92 CTSK (0.65) CTSKHSD17B10CHRNB2CHRNA7CHRNA4
SCHEMBL4045971 0.92 CTSK (0.43) CTSKHSD17B10GAATSHRGFER
SCHEMBL4044361 0.90 CTSK (0.44) CTSKHSD17B10CTSLCTSSCCR1
SCHEMBL4040210 0.90 CTSK (0.53) CTSKHSD17B10CTSLCTSSCCR1
SCHEMBL4039055 0.90 CTSK (0.54) CTSKCHRNB2CHRNA7CHRNA4CTSL
SCHEMBL4042400 0.90 LMNA (0.43) CTSKHSD17B10CHRNB2CHRNA7CHRNA4
SCHEMBL4041799 0.90 CTSK (0.45) CTSKHSD17B10CTSLCTSSCCR1
SCHEMBL4042752 0.89 CTSK (0.52) CTSKCHRNB2CHRNA7CHRNA4KMT2A
SCHEMBL4042197 0.89 CTSK (0.42) CTSKHSD17B10GAACTSLCTSS
SCHEMBL4040503 0.88 CTSK (0.44) CTSKHSD17B10CTSLCTSSCCR1

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-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-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

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 1043/4885CHRNB2 3423/4885

“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.