SCHEMBL3662050

SCHEMBL3662050

CCNC(=O)Nc1nc2cc(OS(=O)(=O)C(F)(F)F)ccc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.56
RAB9A P51151 6/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
ABL1 P00519 8/20 0.54
PIK3CD O00329 1/20 0.49
DYRK1A Q13627 3/20 0.49
PIK3CA P42336 1/20 0.48
PIK3CG P48736 1/20 0.48
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL3662759 0.83 ABL1 (0.52) NPC1RAB9ASMN1; SMN2ABL1PIK3CD
SCHEMBL1282103 0.81 ABL1 (0.43) NPC1RAB9ASMN1; SMN2ABL1PIK3CD
SCHEMBL1282766 0.81 ABL1 (0.42) NPC1RAB9ASMN1; SMN2ABL1PIK3CD
SCHEMBL13562821 0.80 NPC1 (0.60) NPC1RAB9ASMN1; SMN2ABL1DYRK1A
SCHEMBL1282055 0.79 NPC1 (0.47) NPC1RAB9ASMN1; SMN2ABL1PIK3CD
SCHEMBL12997499 0.79 NPC1 (0.62) NPC1RAB9ASMN1; SMN2ABL1DYRK1A
SCHEMBL219364 0.79 ABL1 (0.43) NPC1RAB9ASMN1; SMN2ABL1PIK3CD
SCHEMBL3664536 0.77 NPC1 (0.69) NPC1RAB9ASMN1; SMN2ABL1PIK3CD
SCHEMBL13798182 0.77 NPC1 (0.69) NPC1RAB9ASMN1; SMN2ABL1DYRK1A
SCHEMBL1282508 0.77 ABL1 (0.43) NPC1RAB9ASMN1; SMN2ABL1PIK3CD

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-2231653-B1 ANTIBACTERIAL CONDENSED THIAZOLES BIOTA EUROPE LTD (GB) 2013-04-03 EP disclosed
US-8299065-B2 Antibacterial condensed thiazoles BIOTA EUROPE LTD. (GB) 2012-10-30 US disclosed
US-8299065-B2 Antibacterial condensed thiazoles BIOTA EUROPE LTD. (GB) 2012-10-30 US disclosed
US-8299065-B2 Antibacterial condensed thiazoles BIOTA EUROPE LTD. (GB) 2012-10-30 US disclosed
US-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES BIOTA EUROPE LTD (GB) 2010-12-02 US disclosed
US-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES BIOTA EUROPE LTD (GB) 2010-12-02 US disclosed
US-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES BIOTA EUROPE LTD (GB) 2010-12-02 US disclosed
EP-2231653-A1 ANTIBACTERIAL CONDENSED THIAZOLES Biota Europe Ltd (GB) 2010-09-29 EP disclosed
WO-2009074812-A1 ANTIBACTERIAL CONDENSED THIAZOLES PROLYSIS LTD (GB) 2009-06-18 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-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES NEK6, NEK1, TXK NPC1 2672/4885RAB9A 2295/4885SMN1; SMN2 3360/4885

“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.