SCHEMBL15616827

SCHEMBL15616827

CCS(=O)(=O)c1ccccc1-c1nc2cc([S+]([O-])C(F)(F)F)ccc2o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UTRN P46939 6/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ AHR P35869 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ PTPN2 P17706 4/20 0.40
▸ PTPN1 P18031 4/20 0.40
▸ PTPN5 P54829 4/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ HSPD1 P10809 2/20 0.38
▸ HSPE1 P61604 2/20 0.38
▸ NPC1 O15118 4/20 0.37
▸ RAB9A P51151 4/20 0.37
▸ TP53 P04637 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ NFKB1 P19838 1/20 0.37

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
SCHEMBL16746516 0.87 UTRN (0.47) UTRNCYP1A2AHRHDAC6PTPN2
SCHEMBL29431651 0.85 UTRN (0.42) UTRNCYP1A2AHRHDAC6PTPN2
SCHEMBL15858544 0.85 UTRN (0.42) UTRNCYP1A2AHRHDAC6PTPN2
SCHEMBL16804793 0.85 UTRN (0.42) UTRNCYP1A2AHRHDAC6PTGS2
SCHEMBL18819696 0.84 UTRN (0.48) UTRNCYP1A2AHRHDAC6PTPN2
SCHEMBL16594043 0.82 UTRN (0.41) UTRNCYP1A2AHRHDAC6PTPN2
SCHEMBL9951989 0.81 UTRN (0.49) UTRNCYP1A2AHRHDAC6PTPN2
SCHEMBL16375379 0.81 UTRN (0.40) UTRNCYP1A2AHRHDAC6PTPN2
SCHEMBL21810400 0.79 UTRN (0.41) UTRNCYP1A2AHRHDAC6PTPN2
SCHEMBL32678416 0.79 UTRN (0.39) UTRNCYP1A2AHRHDAC6PTPN2

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-20150148308-A1 PEST CONTROL COMPOSITION FOR HARMFUL ARTHROPODS, AND PEST CONTROL METHOD FOR HARMFUL ARTHROPODS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-05-28 — — US disclosed
US-20150148308-A1 PEST CONTROL COMPOSITION FOR HARMFUL ARTHROPODS, AND PEST CONTROL METHOD FOR HARMFUL ARTHROPODS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-05-28 — — US disclosed
EP-2865266-A1 PEST CONTROL COMPOSITION FOR HARMFUL ARTHROPODS, AND PEST CONTROL METHOD FOR HARMFUL ARTHROPODS Sumitomo Chemical Company, Limited (JP) 2015-04-29 — — EP disclosed
WO-2013187426-A1 PEST CONTROL METHOD FOR HARMFUL ARTHROPODS 住友化学株式会社 (JP) 2013-12-19 — — 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-20150148308-A1 PEST CONTROL COMPOSITION FOR HARMFUL ARTHROPODS, AND PEST CONTROL METHOD FOR HARMFUL ARTHROPODS SFXN1, OSR1, PIR UTRN 2585/4885CYP1A2 1097/4885AHR 775/4885

“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.

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