SCHEMBL3033922

SCHEMBL3033922

CCCCC[CH]S(=O)(=O)CCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.43
S1PR2 O95136 1/20 0.43
S1PR4 O95977 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
XBP1 P17861 1/20 0.43
S1PR1 P21453 1/20 0.43
MAPK1 P28482 1/20 0.43
AGTR1 P30556 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
FAAH O00519 5/20 0.42
TSHR P16473 3/20 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
SCHEMBL5074173 0.88 FAAH (0.48) ALDH1A1NPC1S1PR2S1PR4LMNA
SCHEMBL5076175 0.88 FAAH (0.48) ALDH1A1NPC1S1PR2S1PR4LMNA
SCHEMBL7858045 0.88 NPC1 (0.52) ALDH1A1NPC1S1PR2S1PR4LMNA
SCHEMBL6528747 0.86 ALDH1A1 (0.48) ALDH1A1NPC1S1PR2S1PR4LMNA
SCHEMBL3034952 0.85 TSHR (0.46) ALDH1A1NPC1S1PR2S1PR4LMNA
SCHEMBL5379280 0.84 FAAH (0.48) ALDH1A1NPC1S1PR2S1PR4LMNA
SCHEMBL1678753 0.82 ALDH1A1 (0.37) ALDH1A1NPC1S1PR2S1PR4LMNA
SCHEMBL135638 0.80 FAAH (0.41) ALDH1A1NPC1S1PR2S1PR4LMNA
SCHEMBL133276 0.80 FAAH (0.41) ALDH1A1NPC1S1PR2S1PR4LMNA
SCHEMBL1679373 0.78 ALDH1A1 (0.56) ALDH1A1NPC1S1PR2S1PR4LMNA

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 ALDH1A1 1571/4885NPC1 902/4885S1PR2 1030/4885

“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.