SCHEMBL5213265

SCHEMBL5213265

COC(=O)c1cnc(N[C]=O)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR2 O15552 1/20 0.46
▸ RAB9A P51151 7/20 0.39
▸ NPC1 O15118 6/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ SMN1; SMN2 Q16637 6/20 0.38
▸ PRNP P04156 1/20 0.37
▸ TMPRSS15 P98073 2/20 0.37
▸ HCAR2 Q8TDS4 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ NCOA2 Q15596 1/20 0.37
▸ NCOA1 Q15788 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ NCOA3 Q9Y6Q9 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL23388184 0.79 FFAR2 (0.48) FFAR2RAB9ANPC1CYP1A2CYP3A4
SCHEMBL2370795 0.78 FFAR2 (0.53) FFAR2RAB9ASMN1; SMN2MAPKAPK2
SCHEMBL5214094 0.77 FFAR2 (0.49) FFAR2RAB9ANPC1CYP1A2CYP3A4
SCHEMBL9296920 0.74 MAPK14 (0.51) FFAR2TMPRSS15MAPK14
SCHEMBL6330953 0.73 SMN1; SMN2 (0.68) RAB9ANPC1SMN1; SMN2KDM4EHPGD
SCHEMBL1107386 0.73 HCAR2 (0.68) FFAR2RAB9ANPC1SMN1; SMN2HCAR2
SCHEMBL4292895 0.73 HCAR2 (0.42) FFAR2RAB9ANPC1SMN1; SMN2HCAR2
SCHEMBL472995 0.73 CSNK2A2 (0.42) FFAR2RAB9ANPC1SMN1; SMN2HCAR2
SCHEMBL1967862 0.72 FFAR2 (0.39) FFAR2RAB9ANPC1SMN1; SMN2HCAR2
SCHEMBL6311434 0.72 ALDH1A1 (0.42) FFAR2RAB9ANPC1SMN1; SMN2HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322608-B1 DELTA1-PYRROLINES USED AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2007-05-02 — — EP claimed
US-6995185-B2 Δ1-pyrrolines used as pesticides BAYER CROPSCIENCE AG (DE) 2006-02-07 — — US claimed
US-20040068122-A1 Delta1-pyrrolines used as pesticides BAYER CROPSCIENCE AG (DE) 2004-04-08 — — US claimed
EP-1322608-A1 DELTA1-PYRROLINES USED AS PESTICIDES Bayer CropScience AG (DE) 2003-07-02 — — EP claimed
WO-2002024646-A1 DELTA1-PYRROLINES USED AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2002-03-28 — — WO claimed
EP-1322608-B1 DELTA1-PYRROLINES USED AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2007-05-02 — — EP disclosed
US-6995185-B2 Δ1-pyrrolines used as pesticides BAYER CROPSCIENCE AG (DE) 2006-02-07 — — US disclosed
US-20040068122-A1 Delta1-pyrrolines used as pesticides BAYER CROPSCIENCE AG (DE) 2004-04-08 — — US disclosed
EP-1322608-A1 DELTA1-PYRROLINES USED AS PESTICIDES Bayer CropScience AG (DE) 2003-07-02 — — EP disclosed
WO-2002024646-A1 DELTA1-PYRROLINES USED AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2002-03-28 — — 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-20040068122-A1 Delta1-pyrrolines used as pesticides DDT, ADRA1D, OPRD1 FFAR2 2802/4885RAB9A 798/4885NPC1 4206/4885

“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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