SCHEMBL19608600

SCHEMBL19608600

CCCCCCCn1nc(SC)n(C)c1=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 3/20 0.38
▸ PTGS2 P35354 3/20 0.38
▸ MGLL Q99685 2/20 0.38
▸ FAAH O00519 1/20 0.38
▸ TNF P01375 1/20 0.37
▸ MPO P05164 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ XBP1 P17861 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SLC9A1 P19634 2/20 0.34
▸ ADORA2B P29275 1/20 0.34

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
SCHEMBL19608723 0.85 PTGS1 (0.37) PTGS1PTGS2MGLLFAAHTNF
SCHEMBL19608615 0.79 PTGS1 (0.35) PTGS1PTGS2MGLLFAAHTNF
SCHEMBL19608595 0.79 PTGS1 (0.40) PTGS1PTGS2MGLLFAAHTNF
SCHEMBL19608613 0.79 ALDH1A1 (0.33) PTGS1PTGS2MGLLFAAHTNF
SCHEMBL19608724 0.76 PTGS1 (0.42) PTGS1PTGS2MGLLFAAHTNF
SCHEMBL3284102 0.75 PTGS1 (0.41) PTGS1PTGS2MGLLFAAHTNF
SCHEMBL19608708 0.75 MPO (0.40) PTGS1PTGS2MGLLFAAHTNF
SCHEMBL19705467 0.73 RGS4 (0.32) CNR2MEN1KMT2AMAPK1
SCHEMBL10418344 0.71 PTGS1 (0.33) PTGS1PTGS2MGLLFAAHTNF
SCHEMBL13208398 0.71 RXFP1 (0.34) MEN1KMT2AALDH1A1

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.

Send feedback