SCHEMBL4042029

SCHEMBL4042029

O=C(NC1(C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)C(=O)c2cccnc2)CCCCC1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 2/20 0.38
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
CNR2 P34972 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
ADAM17 P78536 1/20 0.33
ALDH1A1 P00352 3/20 0.33
HTT P42858 1/20 0.33
DPP4 P27487 1/20 0.32
PREP P48147 1/20 0.32
FAP Q12884 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
USP30 Q70CQ3 2/20 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
SCHEMBL4041246 0.90 MMP1 (0.38) GPR132NPC1TP53RECQLRAB9A
SCHEMBL4043534 0.88 CTSK (0.39) GPR132NPC1RAB9AALDH1A1HTT
SCHEMBL4045671 0.88 RIPK1 (0.33) NPC1RAB9AALDH1A1PREPKDM4E
SCHEMBL4043452 0.87 GPR132 (0.42) GPR132NPC1TP53RECQLRAB9A
SCHEMBL4039814 0.85 HDAC1 (0.36) GPR132NPC1TP53RECQLRAB9A
SCHEMBL4043751 0.84 CTSK (0.40) NPC1RAB9AALDH1A1KDM4EPOLB
SCHEMBL4037440 0.82 GPR132 (0.43) GPR132NPC1TP53RECQLRAB9A
SCHEMBL4041605 0.81 MAPK14 (0.40) NPC1RAB9AMMP1MMP2ALDH1A1
SCHEMBL4045068 0.80 MMP3 (0.36) MMP1MMP2ADAM17ALDH1A1KDM4E
SCHEMBL6211206 0.80 CHRM4 (0.32) MMP1MMP2ALDH1A1KDM4EPOLB

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 GPR132 844/4885NPC1 787/4885TP53 1281/4885

“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.