SCHEMBL4893059

SCHEMBL4893059

O=C(Nc1nc(C(=O)NC2CCN(Cc3c[nH]c4ccccc34)CC2)cs1)c1ccc2c(c1)OCO2

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 1/20 0.53
SLC6A13 Q9NSD5 1/20 0.53
NPC1 O15118 2/20 0.51
RAB9A P51151 1/20 0.51
MAPKAPK2 P49137 7/20 0.51
KRAS P01116 1/20 0.47
SOS1 Q07889 1/20 0.47
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
ACHE P22303 2/20 0.46
BCHE P06276 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MCHR1 Q99705 1/20 0.44

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
SCHEMBL4889967 0.89 MAPKAPK2 (0.55) SLC6A12SLC6A13MAPKAPK2KRASSOS1
SCHEMBL4890287 0.87 SOS1 (0.52) SLC6A12MAPKAPK2KRASSOS1ADRA2A
SCHEMBL4879370 0.86 MAPKAPK2 (0.52) MAPKAPK2KRASSOS1ADRA2AADRA2B
SCHEMBL4890665 0.86 SOS1 (0.50) MAPKAPK2KRASSOS1ADRA2AADRA2B
Hydrochloric Acid SCHEMBL4895600 0.85 MAPKAPK2 (0.51) MAPKAPK2KRASSOS1ADRA2AADRA2B
SCHEMBL4886641 0.73 MAPKAPK2 (0.52) SLC6A12SLC6A13MAPKAPK2MCHR1
SCHEMBL4892360 0.73 MAPKAPK2 (0.64) SLC6A12SLC6A13MAPKAPK2SIGMAR1MCHR1
SCHEMBL4892984 0.72 MAPKAPK2 (0.63) SLC6A12SLC6A13MAPKAPK2SIGMAR1MCHR1
SCHEMBL4894204 0.71 MAPKAPK2 (0.62) SLC6A12SLC6A13MAPKAPK2SIGMAR1MCHR1
SCHEMBL4881110 0.71 MAPKAPK2 (0.62) SLC6A12SLC6A13MAPKAPK2SIGMAR1MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080039499-A1 Chemical Compounds BOWER JUSTIN F 2008-02-14 US claimed
EP-1761526-A2 THIAZOLE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2007-03-14 EP claimed
WO-2005118579-A2 THIAZOLE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2005-12-15 WO claimed
US-20080039499-A1 Chemical Compounds BOWER JUSTIN F 2008-02-14 US disclosed
US-20080039499-A1 Chemical Compounds BOWER JUSTIN F 2008-02-14 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-20080039499-A1 Chemical Compounds CCR1, CCL11, CXCR1 SLC6A12 2262/4885SLC6A13 2339/4885NPC1 849/4885

“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.