SCHEMBL3068041

SCHEMBL3068041

O=C(Oc1ccccc1Cl)C(c1cccs1)C(O)c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
NOTUM Q6P988 1/20 0.37
KCNA5 P22460 2/20 0.36
LMNA P02545 3/20 0.36
HTT P42858 3/20 0.36
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
SGMS2 Q8NHU3 1/20 0.34
GFER P55789 1/20 0.33

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
SCHEMBL3074288 0.88 TSHR (0.50) TSHRKCNA5LMNAHTTKDM4E
SCHEMBL3074237 0.85 SMN1; SMN2 (0.43) SLC6A2SLC6A4SLC6A3NPC1RAB9A
SCHEMBL3076914 0.84 TSHR (0.50) TSHRRAB9ALMNAKDM4EALDH1A1
SCHEMBL3072339 0.81 TSHR (0.47) TSHRSLC6A2SLC6A4SLC6A3NPC1
SCHEMBL3075124 0.81 TSHR (0.49) TSHRNPC1RAB9ALMNAHTT
SCHEMBL3070972 0.77 ALDH1A1 (0.43) TSHRNPC1RAB9ANOTUMLMNA
SCHEMBL3074125 0.74 SMN1; SMN2 (0.43) SLC6A2SLC6A4SLC6A3KCNA5LMNA
SCHEMBL3081201 0.73 TSHR (0.46) TSHRNPC1RAB9ALMNASMN1; SMN2
SCHEMBL3103624 0.70 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3NPC1RAB9A
SCHEMBL13093728 0.69 FFAR1 (0.43) TSHRNPC1RAB9AKCNA5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267555-A1 Fungicidal mixtures II BASF SE (DE) 2010-10-21 US claimed
EP-2222169-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2010-09-01 EP claimed
WO-2009063075-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2009-05-22 WO claimed
US-20100267555-A1 Fungicidal mixtures II BASF SE (DE) 2010-10-21 US disclosed
EP-2222169-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2010-09-01 EP disclosed
WO-2009063075-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2009-05-22 WO disclosed
US-20050277663-A1 3-Aryl-3-hydroxy-and 3-aryl-3-oxopropionic acid esters as fungicides ATP CAPITAL LP 2005-12-15 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 (2 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-20050277663-A1 3-Aryl-3-hydroxy-and 3-aryl-3-oxopropionic acid esters as fungicides CYP21A2, HAO1, AHR TSHR 907/4885SLC6A2 3345/4885SLC6A4 3259/4885
US-20100267555-A1 Fungicidal mixtures II CBR3, CBR1, NOX3 TSHR 364/4885SLC6A2 3142/4885SLC6A4 3479/4885

“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.