SCHEMBL6417954

SCHEMBL6417954

COC(C)C(=O)C(=O)c1cccs1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.57
CES1 P23141 2/20 0.57
ALDH1A1 P00352 4/20 0.49
RAB9A P51151 4/20 0.49
HPGD P15428 3/20 0.49
NPC1 O15118 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
DAO P14920 1/20 0.46
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 1/20 0.43
HDAC1 Q13547 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
CYP2C9 P11712 2/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
RXFP1 Q9HBX9 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
SCHEMBL8310773 0.82 CES2 (0.72) CES2CES1ALDH1A1RAB9AHPGD
SCHEMBL19388239 0.76 CES2 (0.57) CES2CES1ALDH1A1RAB9AHPGD
SCHEMBL1066873 0.74 CES2 (1.00) CES2CES1ALDH1A1RAB9AHPGD
SCHEMBL1233245 0.74 CES2 (0.65) CES2CES1ALDH1A1RAB9AHPGD
SCHEMBL7640314 0.74 CES2 (0.59) CES2CES1ALDH1A1RAB9AHPGD
SCHEMBL7402817 0.74 ALDH1A1 (0.50) CES2CES1ALDH1A1RAB9AHPGD
SCHEMBL27704792 0.73 CES2 (0.53) CES2CES1ALDH1A1RAB9AHPGD
SCHEMBL2610951 0.71 CES2 (0.74) CES2CES1ALDH1A1RAB9AHPGD
SCHEMBL14782239 0.71 CES2 (0.55) CES2CES1ALDH1A1RAB9AHPGD
SCHEMBL6415141 0.71 CES2 (0.55) CES2CES1ALDH1A1RAB9AHPGD

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 4 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
EP-1200425-A1 THIENYL-PYRAZOLES AND THEIR USE FOR CONTROLLING PESTS NIHON BAYER AGROCHEM K.K. (JP) 2002-05-02 EP disclosed
WO-2001005787-A1 THIENYL-PYRAZOLES AND THEIR USE FOR CONTROLLING PESTS NIHON BAYER AGROCHEM K.K. (DE) 2001-01-25 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-20050048092-A1 Thienyl-pyrazoles and their use for controlling pests CBR3, C1S, CYP4B1 CES2 840/4885CES1 413/4885ALDH1A1 534/4885

“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.