SCHEMBL2382377

SCHEMBL2382377

c1ccc(SC2COCCO2)cc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
F2 P00734 2/20 0.33
PRSS1 P07477 2/20 0.33
LMNA P02545 3/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
MGLL Q99685 1/20 0.31
HSD17B10 Q99714 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
CRHBP P24387 2/20 0.30
CRHR2 Q13324 2/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL17397004 0.73 TNK2 (0.39) F2PRSS1LMNASMN1; SMN2HPGD
SCHEMBL16625040 0.73 TNK2 (0.39) F2PRSS1LMNASMN1; SMN2HPGD
SCHEMBL27651131 0.71 CARM1 (0.38) TSHRF2PRSS1SMN1; SMN2MAPT
SCHEMBL5058681 0.70 HTT (0.31) TSHRHTT
SCHEMBL28160957 0.70 SLC6A2 (0.40)
SCHEMBL11334997 0.70 F2 (0.31) F2PRSS1
SCHEMBL28538592 0.67 DDB1 (0.40) DDB1CRBN
SCHEMBL14707885 0.67 NPC1 (0.40) TSHRF2PRSS1
SCHEMBL27332551 0.67 CHRM2 (0.33)
SCHEMBL809471 0.66 DDB1 (0.45) F2PRSS1SMN1; SMN2MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581546-B1 AVERMECTIN B1 DERIVATIVES HAVING AN ALKOXYMETHYL SUBSTITUENT IN THE 4''- OR 4'-POSITION MERIAL INC (US) 2019-03-20 EP disclosed
US-8263566-B2 Avermectin B1 and avermectin B1 monosaccharide derivatives having an alkoxymethyl substituent in the 4″-or 4′-position MERIAL LIMITED (US) 2012-09-11 US disclosed
US-20110230429-A1 AVERMECTIN B1 AND AVERMECTIN B1 MONOSACCHARIDE DERIVATIVES HAVING AN ALKOXYMETHYL SUBSTITUENT IN THE 4\"-OR 4'-POSITION SYNGENTA CROP PROTECTION, LLC (US) 2011-09-22 US disclosed
US-8017589-B2 Avermectin B1 and avermectin B1 monosaccharide derivatives having an alkoxymethyl substituent in the 4″-or 4′-position SYNGENTA CROP PROTECTION LLC (US) 2011-09-13 US disclosed
US-20100210574-A1 AVERMECTIN B1 AND AVERMECTIN B1 MONOSACCHARIDE DERIVATIVES HAVING AN ALKOXYMETHYL SUBSTITUENT IN THE 4\"-OR 4'-POSITION SYNGENTA CROP PROTECTION, INC. (US) 2010-08-19 US disclosed
US-7737261-B2 Avermectin B1 and avermectin B1 monosaccharide derivatives having an alkoxymethyl substituent in the 4″ -or 4′-position SYNGENTA CORP PROTECTION, INC. (US) 2010-06-15 US disclosed
US-20060148729-A1 Avermectin b1 and avermectin b1 monosaccharide derivatives having an alkoxymethyl substitutent in the 4\"-or 4'-position MERIAL LIMITED 2006-07-06 US 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-20100210574-A1 AVERMECTIN B1 AND AVERMECTIN B1 MONOSACCHARIDE DERIVATIVES HAVING AN ALKOXYMETHYL SUBSTITUENT IN THE 4\"-OR 4'-POSITION CHRM1, CHRM2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 TSHR 28/4885F2 3380/4885PRSS1 1353/4885
US-20060148729-A1 Avermectin b1 and avermectin b1 monosaccharide derivatives having an alkoxymethyl substitutent in the 4\"-or 4'-position CHRM2, CHRM1, CHRM4 TSHR 16/4885F2 3676/4885PRSS1 1576/4885
US-20110230429-A1 AVERMECTIN B1 AND AVERMECTIN B1 MONOSACCHARIDE DERIVATIVES HAVING AN ALKOXYMETHYL SUBSTITUENT IN THE 4\"-OR 4'-POSITION CHRM1, CHRM2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 TSHR 28/4885F2 3380/4885PRSS1 1353/4885

“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.