SCHEMBL4037827

SCHEMBL4037827

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

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.65
CHRNB2 P17787 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
CTSS P25774 2/20 0.40
HSD17B10 Q99714 1/20 0.39
HCRTR2 O43614 1/20 0.36
CCR1 P32246 1/20 0.36
PREP P48147 1/20 0.36
FAP Q12884 1/20 0.36
CTSL P07711 1/20 0.36
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
GFER P55789 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4039481 0.93 CTSK (0.56) CTSKCTSSHSD17B10HCRTR2CTSL
SCHEMBL4041298 0.92 CTSK (0.54) CTSKCHRNB2CHRNA7CHRNA4CTSS
SCHEMBL4041749 0.92 CTSK (0.53) CTSKCTSSHSD17B10HCRTR2CCR1
SCHEMBL4040525 0.91 CTSK (0.53) CTSKCTSSHSD17B10HCRTR2CCR1
SCHEMBL4042094 0.91 CTSK (0.53) CTSKCTSSHSD17B10HCRTR2CCR1
SCHEMBL4038867 0.91 CTSK (0.66) CTSKCTSSCCR1PREPFAP
SCHEMBL4038578 0.91 CTSK (0.75) CTSKCTSSCCR1CTSL
SCHEMBL4039791 0.90 CTSK (0.64) CTSKCTSSHSD17B10HCRTR2CCR1
SCHEMBL4046916 0.90 CTSK (0.65) CTSKCHRNB2CHRNA7CHRNA4CTSS
SCHEMBL4042773 0.90 CTSK (0.55) CTSKCTSSHSD17B10HCRTR2CCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1047425-A4 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2009-04-22 EP claimed
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-1047425-A1 INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-11-02 EP claimed
WO-1999030709-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1999-06-24 WO claimed
EP-1047425-A4 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2009-04-22 EP disclosed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
EP-2010523-A1 SPIROCOMPOUNDS USEFUL AS MODULATORS FOR DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2009-01-07 EP disclosed
WO-2007125061-A1 SPIROCOMPOUNDS USEFUL AS MODULATORS FOR DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-11-08 WO disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US disclosed
EP-1044001-A4 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2003-01-29 EP disclosed
EP-1047425-A1 INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-11-02 EP disclosed
EP-1044001-A1 INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-10-18 EP disclosed
WO-1999030713-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1999-06-24 WO disclosed
WO-1999030709-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1999-06-24 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 2/4885CHRNB2 3423/4885CHRNA7 1466/4885

“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.