SCHEMBL2022447

SCHEMBL2022447

CCCCS(=O)(=O)C(CCC)S([NH])(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.37
TP53 P04637 2/20 0.34
NPC1 O15118 1/20 0.34
S1PR2 O95136 1/20 0.34
S1PR4 O95977 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
XBP1 P17861 1/20 0.34
S1PR1 P21453 1/20 0.34
MAPK1 P28482 1/20 0.34
AGTR1 P30556 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
FAAH O00519 2/20 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
SCHEMBL2307424 0.72 ALDH1A1 (0.36) CA2TP53ALDH1A1LMNASMN1; SMN2
SCHEMBL3112274 0.71 CA2 (0.41) CA2TP53NPC1S1PR2S1PR4
SCHEMBL8684782 0.71 CA2 (0.45) CA2TP53NPC1S1PR2S1PR4
SCHEMBL2023253 0.71 FAAH (0.30) FAAH
SCHEMBL927904 0.71 NPC1 (0.32) CA2TP53NPC1S1PR2S1PR4
SCHEMBL4640800 0.70 TP53 (0.41) CA2TP53NPC1S1PR2S1PR4
SCHEMBL27845303 0.70 CA2 (0.39) CA2TP53NPC1S1PR2S1PR4
SCHEMBL8905788 0.69 CA2 (0.47) CA2TP53NPC1S1PR2S1PR4
SCHEMBL2305626 0.67 CA2 (0.50) CA2TP53NPC1S1PR2S1PR4
SCHEMBL10348720 0.67 MMP1 (0.36) CA2TP53MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3259992-B1 AGROCHEMICAL COMPOSITION NIPPON SODA CO (JP) 2019-01-02 EP disclosed
US-20180014543-A1 AGROCHEMICAL COMPOSITION NIPPON SODA CO., LTD. (JP) 2018-01-18 US disclosed
EP-3259992-A1 AGROCHEMICAL COMPOSITION Nippon Soda Co., Ltd. (JP) 2017-12-27 EP disclosed
US-8598367-B2 Nitrogen-containing heterocyclic compound and pest control agent NIPPON SODA CO., LTD. (JP) 2013-12-03 US disclosed
US-20130137876-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PEST CONTROL AGENT NIPPON SODA CO., LTD. (JP) 2013-05-30 US disclosed
US-8362257-B2 Nitrogen-containing heterocyclic compound and pest control agent NIPPON SODA CO., LTD. (JP) 2013-01-29 US disclosed
US-8288393-B2 Nitrogen-containing heterocyclic compound and pest control agent NIPPON SODA CO., LTD. (JP) 2012-10-16 US disclosed
US-20110166358-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PEST CONTROL AGENT NIPPON SODA CO., LTD. (JP) 2011-07-07 US disclosed
EP-2332927-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PEST CONTROL AGENT Nippon Soda Co., Ltd. (JP) 2011-06-15 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 (3 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-20130137876-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PEST CONTROL AGENT CBR3, CBR1, NOXO1 CA2 366/4885TP53 3707/4885NPC1 2683/4885
US-20110166358-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PEST CONTROL AGENT CBR3, CBR1, NOXO1 CA2 366/4885TP53 3707/4885NPC1 2683/4885
US-20180014543-A1 AGROCHEMICAL COMPOSITION CYP4B1, CMA1, CTRL CA2 90/4885TP53 1339/4885NPC1 3356/4885

“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.