SCHEMBL19608723

SCHEMBL19608723

CCCCCCCn1nc(SCC)n(C)c1=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 3/20 0.37
▸ PTGS2 P35354 3/20 0.37
▸ MGLL Q99685 2/20 0.37
▸ FAAH O00519 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ XBP1 P17861 1/20 0.36
▸ TNF P01375 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ SLC9A1 P19634 1/20 0.33

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
SCHEMBL19608600 0.85 PTGS1 (0.38) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL19608613 0.83 ALDH1A1 (0.33) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL14372254 0.82 NPC1 (0.34) ALDH1A1MAPK1MEN1KMT2AHPGD
SCHEMBL19705467 0.78 RGS4 (0.32) MAPK1MEN1KMT2ACNR2
SCHEMBL19608595 0.77 PTGS1 (0.40) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL13006850 0.76 NPC1 (0.37) ALDH1A1MAPK1MEN1KMT2AHPGD
SCHEMBL19608724 0.75 PTGS1 (0.42) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL19608615 0.74 PTGS1 (0.35) PTGS1PTGS2MGLLFAAHMAPK1
SCHEMBL3284102 0.73 PTGS1 (0.41) PTGS1PTGS2MGLLFAAHMAPK1
SCHEMBL19608708 0.73 MPO (0.40) PTGS1PTGS2MGLLFAAHTNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-12-14 — — US disclosed
US-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 — — 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 (2 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-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 PTGS1 3416/4885PTGS2 2448/4885MGLL 593/4885
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 PTGS1 3242/4885PTGS2 2144/4885MGLL 534/4885

“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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