SCHEMBL6418115

SCHEMBL6418115

CCCCCC(F)C(=O)C(=O)c1cccs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
TSHR P16473 3/20 0.47
GLA P06280 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC3 O15379 1/20 0.46
ALDH1A1 P00352 5/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
HPGD P15428 2/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 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
SCHEMBL6419959 0.96 TSHR (0.51) CES2CES1TSHRGLAHTT
SCHEMBL6412787 0.90 CES2 (0.52) CES2CES1TSHRGLAHTT
SCHEMBL6415141 0.83 CES2 (0.55) CES2CES1TSHRGLAHTT
SCHEMBL6410973 0.78 TSHR (0.51) CES2CES1TSHRGLAHTT
SCHEMBL20306087 0.75 HDAC1 (0.54) CES2CES1TSHRGLAHTT
SCHEMBL4324861 0.74 ALDH1A1 (0.56) TSHRGLAHTTL3MBTL1HDAC1
SCHEMBL6411619 0.74 TSHR (0.50) CES2CES1TSHRGLAHTT
SCHEMBL4324864 0.74 HDAC1 (0.52) CES2CES1TSHRGLAHTT
SCHEMBL22371932 0.74 CTSK (0.49) CES2CES1TSHRGLAHTT
SCHEMBL19185882 0.74 HDAC1 (0.52) CES2CES1TSHRGLAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050048092-A1 Thienyl-pyrazoles and their use for controlling pests WADA KATSUAKI (JP) 2005-03-03 US disclosed
US-6593358-B1 Method for controlling pests, comprising the step of allowing a pesticidally effective amount of one or more compounds selected from the group consisting of one or more compounds of the formula (Ia) according to claim 2 and one or compounds NIHON BAYER AGROCHEM K.K. (JP) 2003-07-15 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 (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-20050048092-A1 Thienyl-pyrazoles and their use for controlling pests CBR3, C1S, CYP4B1 CES2 840/4885CES1 413/4885TSHR 205/4885

“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.