SCHEMBL20969368

SCHEMBL20969368

CCS(=O)(=O)n1c(C(=O)OC)cc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 6/20 0.55
NOD1 Q9Y239 6/20 0.55
MTNR1A P48039 2/20 0.53
MTNR1B P49286 2/20 0.53
KMT2A Q03164 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 2/20 0.42
MCL1 Q07820 1/20 0.42
CNR2 P34972 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
CCR2 P41597 1/20 0.40

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
SCHEMBL6685154 0.84 MCL1 (0.57) NOD2NOD1KMT2AMEN1MCL1
SCHEMBL9617940 0.82 NOD2 (0.64) NOD2NOD1MTNR1AMTNR1BKMT2A
SCHEMBL10767782 0.80 NOD1 (0.62) NOD2NOD1L3MBTL1SMN1; SMN2MCL1
SCHEMBL14627380 0.79 NOD1 (0.78) NOD2NOD1SMN1; SMN2MCL1ALDH1A1
SCHEMBL27515886 0.77 NOD2 (0.46) NOD2NOD1MTNR1AMTNR1BKMT2A
SCHEMBL6674180 0.76 NOD2 (0.71) NOD2NOD1MTNR1AMTNR1BKMT2A
SCHEMBL6963990 0.76 CCR2 (0.74) NOD2NOD1MTNR1AMTNR1BKMT2A
SCHEMBL6965196 0.76 NOD2 (0.60) NOD2NOD1MTNR1AMTNR1BKMT2A
SCHEMBL4794627 0.75 MTNR1A (0.57) NOD2NOD1MTNR1AMTNR1BKMT2A
SCHEMBL8301465 0.75 MTNR1A (0.72) NOD2NOD1MTNR1AMTNR1BKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3483162-B1 N-ALKYLSULFONYL CONDENSED HETEROCYCLIC COMPOUND OR SALT THEREOF, PESTICIDE CONTAINING SAID COMPOUND, AND METHOD FOR USING SAID PESTICIDE NIHON NOHYAKU CO LTD (JP) 2021-10-06 EP disclosed
CN-109415370-B N-alkylsulfonyl fused heterocyclic compound or salt thereof, insecticide containing the compound, and method of using the same 日本农药株式会社 2021-06-08 CN disclosed
US-20190174760-A1 N-ALKYLSULFONYL CONDENSED HETEROCYCLIC COMPOUND OR SALT THEREOF, INSECTICIDE COMPRISING THE COMPOUND, AND METHOD FOR USING THE INSECTICIDE NIHON NOHYAKU CO., LTD. (JP) 2019-06-13 US disclosed
US-20190174760-A1 N-ALKYLSULFONYL CONDENSED HETEROCYCLIC COMPOUND OR SALT THEREOF, INSECTICIDE COMPRISING THE COMPOUND, AND METHOD FOR USING THE INSECTICIDE NIHON NOHYAKU CO., LTD. (JP) 2019-06-13 US disclosed
EP-3483162-A1 N-ALKYLSULFONYL-FUSED HETEROCYCLIC COMPOUND OR SALT THEREOF, PESTICIDE CONTAINING SAID COMPOUND, AND METHOD FOR USING SAID PESTICIDE Nihon Nohyaku Co., Ltd. (JP) 2019-05-15 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 (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-20190174760-A1 N-ALKYLSULFONYL CONDENSED HETEROCYCLIC COMPOUND OR SALT THEREOF, INSECTICIDE COMPRISING THE COMPOUND, AND METHOD FOR USING THE INSECTICIDE C1S, HCN1, H1-0 NOD2 3508/4885NOD1 868/4885MTNR1A 3171/4885

“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.