SCHEMBL3025859

SCHEMBL3025859

[CH2]CCCCCCC[S+]([O-])CCCCCC

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.38
THRB P10828 1/20 0.38
CES2 O00748 3/20 0.32
CES1 P23141 3/20 0.32
LSS P48449 1/20 0.31
DNM1 Q05193 5/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HSD17B10 Q99714 1/20 0.31
SLC22A1 O15245 1/20 0.31

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
SCHEMBL3027163 0.98 TSHR (0.33) TSHRTHRB
SCHEMBL7860239 0.95 TSHR (0.32) TSHRTHRB
SCHEMBL7859164 0.95 TSHR (0.38) TSHRTHRBCES2CES1LSS
SCHEMBL5668962 0.88 TSHR (0.33) TSHRTHRB
SCHEMBL3160216 0.87 TSHR (0.50) TSHRTHRBCES2CES1DNM1
SCHEMBL3025854 0.87 TSHR (0.50) TSHRTHRBCES2CES1DNM1
SCHEMBL8587002 0.87 TSHR (0.50) TSHRTHRBCES2CES1DNM1
SCHEMBL669556 0.87 TSHR (0.50) TSHRTHRBCES2CES1DNM1
SCHEMBL296474 0.87 TSHR (0.50) TSHRTHRBCES2CES1DNM1
SCHEMBL3155716 0.87 TSHR (0.50) TSHRTHRBCES2CES1DNM1

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-8802713-B2 3-alkoxy-1-phenylpyrazole derivatives and pesticides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2014-08-12 US disclosed
EP-2202226-B1 3-ALKOXY-1-PHENYLPYRAZOLE DERIVATIVE AND PEST CONTROL AGENT KUMIAI CHEMICAL INDUSTRY CO (JP) 2013-06-05 EP disclosed
US-20100210704-A1 3-ALKOXY-1-PHENYLPYRAZOLE DERIVATIVES AND PESTICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-08-19 US disclosed
EP-2202226-A1 3-ALKOXY-1-PHENYLPYRAZOLE DERIVATIVE AND PEST CONTROL AGENT Kumiai Chemical Industry CO., LTD. (JP) 2010-06-30 EP 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-20100210704-A1 3-ALKOXY-1-PHENYLPYRAZOLE DERIVATIVES AND PESTICIDES HCN3, HCN4, KCNH3 TSHR 422/4885THRB 2609/4885CES2 773/4885

“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.