SCHEMBL4043368

SCHEMBL4043368

C=Cc1ccc(C(=O)NC(CCC)C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)c2ccc[n+]([O-])c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.42
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
CCR1 P32246 3/20 0.35
CTSS P25774 3/20 0.35
CTSV O60911 2/20 0.35
CTSL P07711 2/20 0.35
P2RY12 Q9H244 1/20 0.34
PREP P48147 1/20 0.32
FAP Q12884 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32

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
SCHEMBL4044521 0.92 CTSK (0.51) CTSKTAS1R3TAS1R1CCR1CTSS
SCHEMBL4045150 0.91 CTSK (0.44) CTSKCCR1CTSSCTSVCTSL
SCHEMBL6274440 0.91 CTSK (0.48) CTSKCCR1CTSSCTSVCTSL
SCHEMBL4038812 0.90 CTSK (0.54) CTSKCCR1CTSSCTSVCTSL
SCHEMBL4039713 0.90 CTSK (0.45) CTSKCCR1CTSSCTSVCTSL
SCHEMBL4040752 0.89 CTSK (0.54) CTSKCCR1CTSSCTSVCTSL
SCHEMBL4042617 0.89 CTSK (0.46) CTSKTAS1R3TAS1R1CCR1CTSS
SCHEMBL4044103 0.89 CTSK (0.42) CTSKTAS1R3TAS1R1CCR1CTSS
SCHEMBL4040448 0.88 CTSK (0.49) CTSK
SCHEMBL4043754 0.88 CTSK (0.43) CTSKTAS1R3TAS1R1CCR1CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537123-B1 AMINO-SUBSTITUTED CYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS GLAXO GROUP LTD (GB) 2009-04-29 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-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-2076504-A2 DICHROIC-PHOTOCHROMIC COMPOUNDS AND DEVICES AlphaMicron, Inc. (US) 2009-07-08 EP disclosed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
WO-2008051420-A2 DICHROIC-PHOTOCHROMIC COMPOUNDS AND DEVICES ALPHAMICRON, INC. (US) 2008-05-02 WO 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 2/4885TAS1R3 2219/4885TAS1R1 2032/4885

“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.