SCHEMBL7035653

SCHEMBL7035653

CN(C)C(=S)Nc1ccccc1CC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MASP2 O00187 1/20 0.60
▸ NR1H4 Q96RI1 2/20 0.52
▸ PTGS2 P35354 4/20 0.50
▸ CXCL8 P10145 5/20 0.49
▸ MAPT P10636 1/20 0.47
▸ AKR1B10 O60218 1/20 0.47
▸ UGT1A9 O60656 1/20 0.47
▸ TRPA1 O75762 1/20 0.47
▸ ABCB11 O95342 1/20 0.47
▸ MT-CO2 P00403 1/20 0.47
▸ TTR P02766 1/20 0.47
▸ ALB P02768 1/20 0.47
▸ UGT1A6 P19224 1/20 0.47
▸ UGT1A1 P22309 1/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ CXCR1 P25024 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ AGTR2 P50052 1/20 0.47
▸ NR1I3 Q14994 1/20 0.47
▸ SLC22A6 Q4U2R8 1/20 0.47

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
SCHEMBL7039813 0.85 MASP2 (0.54) MASP2MAPTABCC1
SCHEMBL6959054 0.83 MAPT (0.60) MASP2MAPT
SCHEMBL3054871 0.78 NR1H4 (0.59) NR1H4PTGS2CXCL8AKR1B10UGT1A9
SCHEMBL31226210 0.78 NR1H4 (0.59) NR1H4PTGS2CXCL8AKR1B10UGT1A9
SCHEMBL9724473 0.76 CXCL8 (0.57) NR1H4PTGS2CXCL8AKR1B10UGT1A9
SCHEMBL13329758 0.76 ALDH1A1 (0.63) NR1H4PTGS2CXCL8AKR1B10UGT1A9
SCHEMBL194382 0.76 NR1H4 (0.56) NR1H4PTGS2CXCL8AKR1B10UGT1A9
SCHEMBL25054195 0.76 MASP2 (1.00) MASP2MAPTABCC1
SCHEMBL1964864 0.74 PTGS2 (0.60) NR1H4PTGS2CXCL8AKR1B10UGT1A9
SCHEMBL8860337 0.74 CXCL8 (0.59) NR1H4PTGS2CXCL8AKR1B10UGT1A9

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-20030212116-A1 Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-11-13 — — US disclosed
EP-1243580-A1 HETEROCYCLIC IMINO COMPOUNDS AND FUNGICIDES AND INSECTICIDES FOR AGRICULTURAL AND HORTICULTURAL USE Nissan Chemical Industries, Ltd. (JP) 2002-09-25 — — 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-20030212116-A1 Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use DDT, CBR3, CYP1B1 MASP2 3929/4885NR1H4 4271/4885PTGS2 1514/4885

“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