SCHEMBL6410973

SCHEMBL6410973

CCCCC(Cl)C(=O)C(=O)c1cccs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
HTT P42858 2/20 0.51
GLA P06280 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
HDAC3 O15379 1/20 0.47
CTSK P43235 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
HPGD P15428 1/20 0.43
HSPA5 P11021 1/20 0.43
GSK3B P49841 1/20 0.42

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 0.82 TSHR (0.51) TSHRHTTGLAL3MBTL1CES2
SCHEMBL6418115 0.78 CES2 (0.47) TSHRHTTGLAL3MBTL1CES2
SCHEMBL19388239 0.76 CES2 (0.57) TSHRHTTGLAL3MBTL1CES2
SCHEMBL6412787 0.76 CES2 (0.52) TSHRHTTGLAL3MBTL1CES2
SCHEMBL11130414 0.75 TSHR (0.53) TSHRHTTGLAL3MBTL1HDAC3
SCHEMBL5047571 0.73 TSHR (0.57) TSHRHTTGLAL3MBTL1CES2
SCHEMBL5179085 0.73 TSHR (0.53) TSHRHTTGLAL3MBTL1CES2
SCHEMBL6411619 0.72 TSHR (0.50) TSHRHTTGLAL3MBTL1CES2
SCHEMBL8310773 0.72 CES2 (0.72) L3MBTL1CES2CES1HDAC1KDM4E
SCHEMBL6415141 0.72 CES2 (0.55) TSHRHTTGLAL3MBTL1CES2

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 TSHR 205/4885HTT 1250/4885GLA 4753/4885

“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.