SCHEMBL4041145

SCHEMBL4041145

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.45
PREP P48147 3/20 0.38
CCR1 P32246 3/20 0.38
FAP Q12884 2/20 0.38
GAA P10253 1/20 0.37
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TP53 P04637 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MC4R P32245 1/20 0.35
MC3R P41968 1/20 0.35
MC1R Q01726 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
TSHR P16473 2/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 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
SCHEMBL4045315 0.93 CTSK (0.53) CTSKPREPCCR1FAPGAA
SCHEMBL4043857 0.93 CTSK (0.44) CTSKPREPCCR1FAPMC4R
SCHEMBL4040234 0.91 CTSK (0.54) CTSKPREPCCR1FAPNPC1
SCHEMBL4039055 0.91 CTSK (0.54) CTSKPREPCCR1FAPRAB9A
SCHEMBL4041463 0.91 CTSK (0.43) CTSKPREPCCR1FAPGAA
SCHEMBL4041112 0.91 CTSK (0.46) CTSKPREPCCR1FAPMC4R
SCHEMBL4040328 0.90 CTSK (0.42) CTSKPREPCCR1FAPMC4R
SCHEMBL4044361 0.90 CTSK (0.44) CTSKPREPCCR1FAPNPC1
SCHEMBL4045200 0.89 CTSK (0.45) CTSKPREPCCR1FAPNPC1
SCHEMBL4040150 0.89 CTSK (0.41) CTSKPREPCCR1FAPMC4R

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 2/4885PREP 1823/4885CCR1 100/4885

“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.