SCHEMBL4887357

SCHEMBL4887357

O=C(Nc1nc(C(=O)O)cs1)c1ccc(F)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.55
TAS1R3 Q7RTX0 1/20 0.54
TAS1R1 Q7RTX1 1/20 0.54
TAS1R2 Q8TE23 1/20 0.54
ABL1 P00519 1/20 0.49
KCNQ3 O43525 1/20 0.49
KCNQ2 O43526 1/20 0.49
KCNE1 P15382 1/20 0.49
KCNQ1 P51787 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ADORA3 P0DMS8 1/20 0.48
GCK P35557 1/20 0.48
GRM5 P41594 1/20 0.48
MAOB P27338 3/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MAOA P21397 1/20 0.45
MAPT P10636 1/20 0.45
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL3602994 0.84 MAPT (0.59) SMN1; SMN2L3MBTL1ADORA3NPC1RAB9A
SCHEMBL15426988 0.84 GCK (0.69) SMN1; SMN2TAS1R3TAS1R1TAS1R2GCK
SCHEMBL14270047 0.83 LMNA (0.67) SMN1; SMN2L3MBTL1NPC1RAB9AMAPT
SCHEMBL15867678 0.82 SCD (0.65) ABL1ADORA3NPC1RAB9AMAPT
SCHEMBL3604622 0.81 KDM4E (0.59) SMN1; SMN2L3MBTL1NPC1RAB9AMAPT
SCHEMBL4891680 0.80 SMN1; SMN2 (0.48) SMN1; SMN2TAS1R3TAS1R1TAS1R2
SCHEMBL3602131 0.80 GCK (0.58) SMN1; SMN2L3MBTL1GCKGRM5NPC1
Hydrochloric Acid SCHEMBL4890437 0.79 SMN1; SMN2 (0.48) SMN1; SMN2TAS1R3TAS1R1TAS1R2
SCHEMBL6799313 0.78 RAB9A (0.60) SMN1; SMN2L3MBTL1GCKNPC1RAB9A
SCHEMBL15427051 0.78 SMN1; SMN2 (0.65) SMN1; SMN2TAS1R3TAS1R1TAS1R2ABL1

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
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
US-20080039499-A1 Chemical Compounds BOWER JUSTIN F 2008-02-14 US disclosed
CN-1993358-A Thiazole derivatives as chemokine receptor antagonists ASTRAZENECA AB (SE) 2007-07-04 CN disclosed
EP-1761526-A2 THIAZOLE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2007-03-14 EP disclosed
WO-2005118579-A2 THIAZOLE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2005-12-15 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-20080039499-A1 Chemical Compounds CCR1, CCL11, CXCR1 SMN1; SMN2 4200/4885TAS1R3 1289/4885TAS1R1 1058/4885

“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.